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Xingcheng Chempharm Co., Ltd.

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Web: http://www.xcchem.com.cn
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Address: B Area. 10 Floor.Yaodadasha. 289#.Shifu Road.Taizhou., Hubei, Zhejiang 318000, China
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Profile: Xingcheng Chempharm Co., Ltd. is specialized in the manufacture of APIs and pharmaceutical intermediates. We are an ISO 9001:2000 certified company. Our products include anti-neoplastics, prostaglandin series, and anti-AIDSs series. We have several chemical companies, and research institutes.

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• Ala-Leu-Ala-Leu Daunorubicin Hydrochloride
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanamide;hydrochloride | CAS Registry Number: 76582-70-2
Synonyms: Ala-Leu-Ala-Leu-DNR, (8S-cis)-8-Acetyl-10-[[3-[[N-[N-(N-L-alanyl-L-leucyl)-L-alanyl]-L-leucyl]amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione Monohydrochloride

Molecular Formula: C45H62ClN5O14Molecular Weight: 932.451880 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 15

InChIKey: LJWJYPAQXONXEF-SKQXRMJDSA-N

• Aliskiren
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide | CAS Registry Number: 173334-57-1
Synonyms: Rasilez, Aliskiren [INN], Rasilez (TN), Aliskiren (USAN/INN), SPP100, SPP 100, CID5493444, DB01258, D03208, (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide, C41

Molecular Formula: C30H53N3O6Molecular Weight: 551.758320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: UXOWGYHJODZGMF-QORCZRPOSA-N

• Axitinib
IUPAC Name: N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide | CAS Registry Number: 319460-85-0
Synonyms: Axitinib [USAN], AG-013736, CID6450551, AG-13736, AG 013736, Benzamide, N-methyl-2-((3-((1E)-2-(2-pyridinyl)ethenyl)-1H-indazo)-6-yl)thio)-, N-methyl-2-((3-((1E)-2-(pyridin-2-yl)ethenyl)-1H-indazol-6-yl)sulfanyl)benzamide, 790713-39-2

Molecular Formula: C22H18N4OSMolecular Weight: 386.469520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RITAVMQDGBJQJZ-FMIVXFBMSA-N

• Bafetinib
IUPAC Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide | CAS Registry Number: 859212-16-1
Synonyms: UNII-NVW4Z03I9B, INNO-406, CNS-9, INNO 406, CHEBI:441327, NS 187, NS-187, CID11387605, CID 11387605, (S)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-3-(trifluoromethyl)benzamide, 4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-3-(trifluoromethyl)benzamide, Benzamide, N-(3-((4,5'-bipyrimidin)-2-ylamino)-4-methylphenyl)-4-(((3S)-3-(dimethylamino)-1-pyrrolidinyl)methyl)-3-(trifluoromethyl)-

Molecular Formula: C30H31F3N8OMolecular Weight: 576.615350 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: ZGBAJMQHJDFTQJ-DEOSSOPVSA-N

• Bendamustine Hydrochloride
IUPAC Name: 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid hydrochloride | CAS Registry Number: 3543-75-7
Synonyms: Cytostasan, Treanda, Ribomustin, Ribomustin (TN), Treanda (TN), Bendamustine hydrochloride, Bendamustin hydrochloride, IMET 3393, CCRIS 1864, SDX 105, NSC 138783, NSC138783, Bendamustine hydrochloride (JAN/USAN), LS-33224, D07085, WLN: T56 BN DNJ B1 C3VQ GN2G2G &GH, 2-Benzimidazolinebutryric acid, 1-methyl-5-bis(2-chloroethyl)amino-, hydrochloride, gamma(1-Methyl-5-bis(beta-chloraethyl)aminobenzimidazoyl-2)buttersaeurehydrochlorid [German], .gamma.(1-Methyl-5-bis(.beta.-chloraethyl)aminobenzimidazolyl)buttersaeurehydrochlorid, .gamma.-[1-Methyl-5-bis(.beta.-chloroaethyl)aminobenzimidazoyl]buttersauere hydrochlorid

Molecular Formula: C16H22Cl3N3O2Molecular Weight: 394.723780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZHSKUOZOLHMKEA-UHFFFAOYSA-N

• Biapenem
IUPAC Name: (4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-8-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | CAS Registry Number: 120410-24-4
Synonyms: Omegacin, Omegacin (TN), Biapenem [USAN:INN], Biapenem (JAN/USAN/INN), CHEBI:3089, C15H18N4O4S, LJC-10627, LJ C10,627, CID71339, CLI 86815, CLI-86815, LJC 10627, LJC10,627, CLI 86,815, CL 186,815, L 627, L-627, CL-186815, LS-172449, TL8000539

Molecular Formula: C15H18N4O4SMolecular Weight: 350.392820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: MRMBZHPJVKCOMA-YJFSRANCSA-N

• Bimatoprost
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide | CAS Registry Number: 155206-00-1
Synonyms: Lumigan, Latisse, Lumigan (TN), Bimatoprost (USAN/INN), Bimataprost [USAN:INN:BAN], AGN 192024, CHEBI:51230, AGN-192024, CID5311027, DB00905, NCGC00181745-01, LS-181817, D02724, (Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-5-heptenamide, 5-Heptenamide, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (5Z)-, 5-Heptenamide, 7-(3,5-dihydroxy-2-(3-hydrdoxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (1R-(1alpha(Z),2beta(1E,3S*),3alpha,5alpha))-, (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}-N-ethylhept-5-enamide, (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide, 15M, 267244-98-4

Molecular Formula: C25H37NO4Molecular Weight: 415.565580 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: AQOKCDNYWBIDND-FTOWTWDKSA-N

• Bosutinib
IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile | CAS Registry Number: 380843-75-4
Synonyms: Bosutinib (USAN), Bosutinib [USAN], SKI-606, CHEBI:39112, SKI 606, K00615a, CID5328940, D03252, 3-Quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

Molecular Formula: C26H29Cl2N5O3Molecular Weight: 530.446160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N

• Calcipotriol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 112965-21-6
Synonyms: calcipotriene, Dovonex, Dovonex (TN), Calcipotriol (JAN), Calcipotriene (USAN), D01125

Molecular Formula: C27H40O3Molecular Weight: 412.604700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LWQQLNNNIPYSNX-QNRBAYFRSA-N

• Calcitriol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 32222-06-3
Synonyms: calcitriol, Rocaltrol, Calcijex, Topitriol, Soltriol, Vectical, Asentar, Silkis, vit D, Rocaltrol (TN), Dihydroxyvitamin D3, 1,25-Dihydroxyvitamin D, Ambap3896, 1db1, 1alpha,25-Dihydroxyvitamin D3, Spectrum5_002061, Calcitriolum [INN-Latin], 1alpha,25(OH)2D3, 1,25-Dihydroxyvitamin D3, 1alpha,25(OH)2-D3

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: GMRQFYUYWCNGIN-NKMMMXOESA-N

• Canertinib
IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide | CAS Registry Number: 267243-28-7
Synonyms: Canertinib [INN], CI-1033, CID156414, N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(3-(morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide

Molecular Formula: C24H25ClFN5O3Molecular Weight: 485.938403 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: OMZCMEYTWSXEPZ-UHFFFAOYSA-N

• Capecitabine
IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate | CAS Registry Number: 154361-50-9
Synonyms: Xeloda, CAPECITABINE, Capecitabine [USAN], Xeloda (TN), Capecitabine (JAN/USAN/INN), C15H22FN3O6, Ro 09-1978, DB01101, Ro-09-1978, LS-59070, N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine, Ro 09-1978/000, R-340, 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine, C12650, D01223, C110904, Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbonyl)-, Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate, Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester

Molecular Formula: C15H22FN3O6Molecular Weight: 359.350083 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: GAGWJHPBXLXJQN-UORFTKCHSA-N

• Cedirannib
IUPAC Name: 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline | CAS Registry Number: 557795-03-6
Synonyms: Cediranib, Recentin, 288383-20-0, AZD2171, AZD-2171, AZD 2171, S1017_Selleck, Kinome_3318, Cediranib (USAN/INN), UNII-NQU9IPY4K9, CHEMBL491473, AZD2171, Recentin, Cediranib, 4-(4-Fluoro-2-methylindol-5-yloxy)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline, AKOS005145767, NSC-732208, ZD-2171, M6294, D08881, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline, 790713-41-6

Molecular Formula: C25H27FN4O3Molecular Weight: 450.505283 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: XXJWYDDUDKYVKI-UHFFFAOYSA-N

• Cefoselis sulfate
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sulfuric acid | CAS Registry Number: 122841-12-7
Synonyms: Winsef, Winsef (TN), Cefoselis sulfate (JAN), FK 037, C14011, D02232

Molecular Formula: C19H24N8O10S3Molecular Weight: 620.636460 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 16

InChIKey: LZOLCSVRFKCSEM-ZQCAECPKSA-N

• Dasatinib
IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide hydrate | CAS Registry Number: 863127-77-9
Synonyms: Dasatinib hydrate, Dasatinib hydrate (JAN), D06414

Molecular Formula: C22H28ClN7O3SMolecular Weight: 506.020820 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: XHXFZZNHDVTMLI-UHFFFAOYSA-N

• Dipyridamole
IUPAC Name: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol | CAS Registry Number: 58-32-2
Synonyms: dipyridamole, Dipyridamine, Dipyridamol, Persantine, Dipyudamine, Persantin, Curantyl, Kurantil, Stimolcardio, Cardioflux, Stenocardil, Cardoxin, Anginal, Apricor, Coribon, Corosan, Coroxin, Stenocardiol, Chilcolan, Dipyridan

Molecular Formula: C24H40N8O4Molecular Weight: 504.625600 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 12

InChIKey: IZEKFCXSFNUWAM-UHFFFAOYSA-N

• Docetaxel
Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula: C43H53NO14Molecular Weight: 807.879220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Dodecylbenzenesulfonyl Azide
IUPAC Name: N-diazo-2-dodecylbenzenesulfonamide | CAS Registry Number: 79791-38-1
Synonyms: AG-H-19890, p-Dodecylbenzenesulfonyl azide, KSC377A6H, CTK2H7063, N-diazo-2-dodecylbenzenesulfonamide, ACN-S002524, ACT03278, N-diazo-2-dodecyl-benzenesulfonamide, ANW-42104, AKOS015889938, LS40152, BP-13012, ST51051878, A839758, 4-Dodecylbenzenesulfonylazide;p-Dodecylbenzenesulfonyl azide;

Molecular Formula: C18H29N3O2SMolecular Weight: 351.506760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZCRVPHKAQIHANY-UHFFFAOYSA-N

• DORIPENEM HYDRATE (CAS: 34622-82-2)
• Doxercalciferol
IUPAC Name: (1S,3S,4E)-4-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-6-methylidenecyclohexane-1,3-diol | CAS Registry Number: 54573-75-0
Synonyms: Hectorol, doxacalciferol, 1alpha-OHD2, 1-Hydroxyergocalciferol, 1alpha(OH)2D2, 1alpha-hydroxyvitamin D2, 1-alpha-Hydroxyvitamin D2, 1alpha-Hydroxyergocalciferol, 1 alpha-hydroxyergocalciferol, TSA 840, BRN 4716774, Draxis brand of 1 alpha-hydroxyergocalciferol, Bone Care brand of 1 alpha-hydroxyergocalciferol, C042533, 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1-alpha,3-beta,5Z,7E,22E)-, 125285-48-5, 87649-67-0

Molecular Formula: C28H44O2Molecular Weight: 412.647760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DAQLPCKTVQWADC-MEVDWTRGSA-N

• Drospirenone
Synonyms: Dehydrospirorenone, Dihydrospirorenone, Yasmin, 1,2-Dihydrospirorenone, Drospirenone [INN], DRSP, 1,2-dihydro-spirorenone, Drospirenonum [INN-Latin], Drospirenona [INN-Spanish], 1, 2-Dihydrospirorenone, Drospirenone (USAN/INN), CCRIS 6523, CHEBI:50838, EINECS 266-679-2, ZK 30595, C24H30O3, ZK30595, BRN 4765500, SH-470, DB01395

Molecular Formula: C24H30O3Molecular Weight: 366.493200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: METQSPRSQINEEU-HXCATZOESA-N

• Entecavir
IUPAC Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one | CAS Registry Number: 142217-69-4
Synonyms: Baraclude, Entecavir [INN], Entecavir [USAN:INN], HSDB 7334, BMS 200475, CID170343, SQ 34676, NCGC00164563-01, LS-186647, LS-187009, LS-187784, 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-

Molecular Formula: C12H15N5O3Molecular Weight: 277.279200 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: QDGZDCVAUDNJFG-PPSBICQBSA-N

• Epalrestat
IUPAC Name: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | CAS Registry Number: 82159-09-9
Synonyms: epalrestat, Kinedak, Epalrestat [INN], Epalrestatum [Latin], Kinedak (TN), Epalrestat (JAN/INN), Ono 2235, Ono-2235, ONO 2, ONO-2, MLS000806985, C15H13NO3S2, SBB015450, NCGC00164613-01, SMR000414799, LS-151103, D01688, 3-carboxymethyl-5-(methyl-3-phenylpropenylidene)rhodanine, 5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, 3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (E,E)-

Molecular Formula: C15H13NO3S2Molecular Weight: 319.398620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CHNUOJQWGUIOLD-NFZZJPOKSA-N

• Epirubicin HCL
IUPAC Name: (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride | CAS Registry Number: 56390-09-1
Synonyms: Ellence, Pharmorubicin, Farmorubicin, Epirubicin hydrochloride, Epidoxorubicin, Farmorubicina, Pidorubicin, 4'-epi-Adriamycin, Ellence (TN), 4'-epi-Doxorubicin, Ambap5427, E-ADM, Epidoxorubicin hydrochloride, 4'-epi-DX, CCRIS 4477, 4'-Epidoxorubicin hydrochloride, 4'-epi-Adriamycin hydrochloride, MLS001401404, IMI-28, EINECS 260-145-2

Molecular Formula: C27H30ClNO11Molecular Weight: 579.980200 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: MWWSFMDVAYGXBV-FGBSZODSSA-N

• Erlotinib Hcl
IUPAC Name: 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol | CAS Registry Number: 183321-84-8
Synonyms: 4-[(3-Ethynylphenyl)amino]-6,7-bis(2-hydroxyethoxy)quinazoline, Erlotinib metabolite, O-Didesmethylerlotinib, AGN-PC-00S2OQ, CTK4D8462, ZINC22057163, AKOS015907687, AG-E-33052, KB-188465, FT-0658083, ST51054786, A812765, I14-2708, 2-[[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)-6-quinazolinyl]oxy]ethanol, 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol, 2-[4-[(3-ethynylphenyl)amino]-7-(2-hydroxyethyloxy)quinazolin-6-yl]oxyethanol, Ethanol,2-[[4-[(3-ethynylphenyl)amino]-6-(2-hydroxyethoxy)-7-quinazolinyl]oxy]-, Ethanol,2,2'-[[4-[(3-ethynylphenyl)amino]-6,7-quinazolinediyl]bis(oxy)]bis- (9CI);CP373943;2,2'-[{4-[(3-Ethynylphenyl)amino]-6,7-quinazolinediyl}bis(oxy)]diethanol;

Molecular Formula: C20H19N3O4Molecular Weight: 365.382560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: YWSAEKIQJPQSDJ-UHFFFAOYSA-N

• Fludarabine
IUPAC Name: [(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | CAS Registry Number: 75607-67-9
Synonyms: fludara, fludarabine phosphate, Fludura, Beneflur, FAMP, FaraAMP, fluoro-ara-AMP, Fludarabine monophosphate, 2-Fluoro-ARA AMP, Fludara (TN), 2-Fluoro-ara-AMP, F-ara-AMP, Ambap1079, Fludarabine 5'-monophosphate, 2-F-ara-AMP, C10H13FN5O7P, Fludarabine phosphate [USAN:BAN], NSC-312887, Fludarabine phosphate (JAN/USP), SHT-586

Molecular Formula: C10H13FN5O7PMolecular Weight: 365.211684 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 13

InChIKey: GIUYCYHIANZCFB-FJFJXFQQSA-N

• Folic Acid
IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | CAS Registry Number: 59-30-3
Synonyms: folic acid, Folate, Vitamin Bc, Vitamin M, PteGlu, Folicet, Folvite, Folcysteine, Incafolic, Pteroylglutamic acid, Acifolic, Folcidin, Folettes, Foliamin, Folsaure, Millafol, Mittafol, Cytofol, Folacid, Folacin

Molecular Formula: C19H19N7O6Molecular Weight: 441.397460 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-N

• Gefitinib
IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine | CAS Registry Number: 184475-35-2
Synonyms: Iressa, Irressat, Gefitini; Iressa, Gefitinib [USAN], Iressa (TN), nchembio866-comp14, nchembio.117-comp18, ZD1839, KBioSS_002241, Gefitinib (JAN/USAN/INN), ZD 1839, CCRIS 9011, STOCK6S-52331, CHEBI:49668, ZD-1839, CID123631, NSC715055, DB00317, NCGC00159455-02, NCGC00159455-03

Molecular Formula: C22H24ClFN4O3Molecular Weight: 446.902363 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-N

• Gemcitabine HCL
IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride | CAS Registry Number: 122111-03-9
Synonyms: Gemzar, Gemzar (TN), GEMCITABINE HYDROCHLORIDE, Ambap6387, LY188011 hydrochloride, Gemcitabine HCL (Gemzar), C9H11F2N3O4.HCl, Gemcitabine hydrochloride [USAN], Gemcitabine hydrochloride (JAN/USAN), 2',2'-Difluorodeoxycytidine monohydrochloride, CPD000469146, LS-59069, SAM001246550, TL8000589, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride, D01155, Cytidine, 2'-deoxy-2',2'-difluoro-, monohydrochloride, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride (beta-isomer), 103882-84-4, 95058-81-4

Molecular Formula: C9H12ClF2N3O4Molecular Weight: 299.659086 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: OKKDEIYWILRZIA-OSZBKLCCSA-N

• Gestodene
IUPAC Name: (17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 60282-87-3
Synonyms: GESTODENE, Gestodenum [INN-Latin], Gestodeno [INN-Spanish], Gestodene [USAN:BAN:INN], HSDB 3594, CID43249, SH B 331, EINECS 262-145-8, BRN 4237181, 17-alpha-Ethinyl-13-ethyl-17-beta-hydroxy-4,15-gonadien-3-one, 13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,15-dien-20-yn-3-one, 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)-, Pregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)-

Molecular Formula: C21H26O2Molecular Weight: 310.429940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SIGSPDASOTUPFS-KQMXEUTGSA-N

• Idarubicin HCL
IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride | CAS Registry Number: 57852-57-0
Synonyms: Idarubicin Hcl, Idamycin, Idamycin (TN), idarubicin hydrochloride, Ambap2475, MLS001401448, Idarubicin hydrochloride (JP15/USP), CPD000466355, SAM001246676, SMR000466355, D01747

Molecular Formula: C26H28ClNO9Molecular Weight: 533.954820 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: JVHPTYWUBOQMBP-RVFAQHLVSA-N

• Imatinib Mesylate
IUPAC Name: methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 220127-57-1
Synonyms: Imatinib mesylate, Gleevec, Glivec, Imatinib mesilate, Gleevac, Gleevec (TN), Glivec (TN), Imatinib Methansulfonate, imatinib methanesulfonate, Imatinib mesilate (JAN), sti-571, HSDB 7142, MLS001401456, STI571, CHEBI:31690, STI 571, CGP 57148B, GGP-57148B, CGP 53715, CGP-57148

Molecular Formula: C30H35N7O4SMolecular Weight: 589.708400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: YLMAHDNUQAMNNX-UHFFFAOYSA-N

• Imipenem
IUPAC Name: (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | CAS Registry Number: 64221-86-9
Synonyms: imipenem, Imipemide, Tienamycin, Primaxin, Imipenem anhydrous, Imipenem (INN), Prestwick_844, N-Formimidoylthienamycin, Ambap1005, Prestwick0_000519, Prestwick1_000519, Prestwick2_000519, Prestwick3_000519, BSPBio_000477, SPBio_002398, BPBio1_000525, Imipenem, N-Formimidoyl thienamycin, AIDS007648, AIDS-007648, NSC717864

Molecular Formula: C12H17N3O4SMolecular Weight: 299.346080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ZSKVGTPCRGIANV-ZXFLCMHBSA-N

• Irinotecan
Synonyms: Topotecin, Campto, Camptosar, irinotecan, Irinotecan Hcl, Irinotecan hydrochloride, Camptothecin 11, Camptothecin analog, Ambap2597, CPT 11, Camptothecin 11 hydrochloride, CPT-11, SPECTRUM1505821, NSC616348, DQ-2805, NSC-616348, U 101440E, NCGC00095190-01, NCGC00095190-02, LS-44591

Molecular Formula: C33H39ClN4O6Molecular Weight: 623.138960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: GURKHSYORGJETM-WAQYZQTGSA-N

• Lapatinib
IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine | CAS Registry Number: 231277-92-2
Synonyms: Tykerb, Lapatinib [INN], 1xkk, Lapatinib Ditosylate, nchembio866-comp20, Lapatinib tosilate hydrate, GW572016, CHEBI:49603, GSK 572016, GW 572016, CID208908, DB01259, NCGC00167507-01, LS-187029, LS-187771, FMM, N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine, N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine

Molecular Formula: C29H26ClFN4O4SMolecular Weight: 581.057543 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: BCFGMOOMADDAQU-UHFFFAOYSA-N

• Lapatinib Ditosylate
IUPAC Name: benzenesulfonic acid; N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine; hydrate | CAS Registry Number: 388082-78-8
Synonyms: Tykerb, Lapatinib Ditosylate [USAN], GW572016F, CID208909, LS-186595, 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl), bis(4-methylbenzenesulfonate), monohydrate, N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine bis(4-methylbenzenesulfonate) monohydrate

Molecular Formula: C41H40ClFN4O11S3Molecular Weight: 915.422903 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 16

InChIKey: CJCNEWWARIPAEG-UHFFFAOYSA-N

• Lenalidomide
IUPAC Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione | CAS Registry Number: 191732-72-6
Synonyms: Revlimid, Revimid, Revamid, IMiD3, Revlimid (TN), IMiD3 cpd, Lenalidomide [USAN], Lenalidomide (USAN/INN), CDC 501, CC-5013, Celgene brand of lenalidomide, Thalidomide analog CC-5013, STOCK6S-54938, CC 5013, ENMD-0997, IMID-5013, CDC-501, CDC-5013, CC5013, CID216326

Molecular Formula: C13H13N3O3Molecular Weight: 259.260620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GOTYRUGSSMKFNF-UHFFFAOYSA-N

• Lopinavir
IUPAC Name: (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-di(phenyl)hexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide | CAS Registry Number: 192725-17-0
Synonyms: Aluviran, Kaletra, Koletra, Aluvia, Mixture Name, 1mui, ABT-378, Component of Kaletra, 2o4s, 2q5k, ABT 378, Lopinavir (JAN/USAN/INN), Lopinavir [USAN:INN:BAN], ABT-378, LOPINAVIR, RS-346, AIDS032937, C37H48N4O5, AIDS-032937, ABT 157378, DB01601

Molecular Formula: C37H48N4O5Molecular Weight: 628.800820 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: KJHKTHWMRKYKJE-SUGCFTRWSA-N

• Maraviroc
IUPAC Name: 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide | CAS Registry Number: 376348-65-1
Synonyms: Selzentry, Celsentri, Maraviroc [USAN], PRO 140+Maraviroc, AIDS104834, AIDS415067, AIDS-104834, AIDS-415067, UK-427,857, CID3002977, DB04835, UK 427857, UK-427857, LS-182818, Cyclohexanecarboxamide, 4,4-difluoro-N-((1S)-3-((3-exo)-3-(3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl)-8-azabicyclo(3.2.1)oct-8-yl)-1-phenylpropyl)-, 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide, 674782-29-7, exo-4,4-Difluoro-N-[3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1(S)-phenylpropyl]cyclohexanecarboxamide, Isopropyl, 4,4-difluoro-N-((1S)-3-{(1R,3s,5S)-3-(3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl)-8-azabicyclo(3.2.1)octan-8-yl}-1-phenylpropyl)cyclohexanecarboxamide, MVC

Molecular Formula: C29H41F2N5OMolecular Weight: 513.665546 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: GSNHKUDZZFZSJB-HLMSNRGBSA-N

• Meropenem
IUPAC Name: (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | CAS Registry Number: 96036-03-2
Synonyms: meropenem, Meropen, Merrem, Meropenem anhydrous, MERONEM, Ambap6296, Antibiotic SM 7338, Prestwick0_001106, Prestwick1_001106, Prestwick2_001106, Prestwick3_001106, BSPBio_001212, MLS001401437, SPBio_003086, BPBio1_001334, CHEBI:43968, AIDS007788, AIDS-007788, SM-7338, ICI 194660

Molecular Formula: C17H25N3O5SMolecular Weight: 383.462500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: DMJNNHOOLUXYBV-PQTSNVLCSA-N

• Minoxidil
IUPAC Name: 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine | CAS Registry Number: 38304-91-5
Synonyms: minoxidil, Loniten, Rogaine, Minoximen, Theroxidil, Alopexil, Regaine, Tricoxidil, Prexidil, Alostil, Lonolox, Neoxidil, Minodyl, Mixture Name, RiUP, Minossidile [Italian], Prestwick_521, Loniten (TN), Rogaine (TN), Men s Rogaine Foam

Molecular Formula: C9H15N5OMolecular Weight: 209.248300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ZIMGGGWCDYVHOY-UHFFFAOYSA-N

• Neratinib
IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide | CAS Registry Number: 698387-09-6
Synonyms: HKI-272, HKI 272, Neratinib(HKI-272), Neratinib, HKI-272, 698387-09-6, HKI272, HKI 272, HKI-272,, (2E)-N-[4-[[3-chloro-4-[(pyridin-2-yl)methoxy]phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide, HKI272, S2150_Selleck, Neratinib HKI 272, PubChem22399, Neratinib (INN/USAN), UNII-JJH94R3PWB, Neratinib - HKI-272, cc-32, SureCN571762, JSPY-st000262, CHEMBL180022, QCR-104, CHEBI:399120, MolPort-006-069-389

Molecular Formula: C30H29ClN6O3Molecular Weight: 557.042660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-N

• Nilotinib
IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide | CAS Registry Number: 641571-10-0
Synonyms: AMN107, AMN 107, CHEBI:52172, AMN-107, TL8004531, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide, 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide, 4-Methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, Benzamide, 4-methyl-N-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- (9CI), NIL

Molecular Formula: C28H22F3N7OMolecular Weight: 529.515790 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N

• Nilutamide
IUPAC Name: 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione | CAS Registry Number: 63612-50-0
Synonyms: nilutamide, Nilandron, Anandron, Nilandrone, Nilutamidum [Latin], Nilandron (TN), Nilutamida [Spanish], Spectrum_001625, Tocris-1759, SpecPlus_000902, Nilutamide (USAN/INN), Prestwick0_000928, Prestwick1_000928, Prestwick2_000928, Prestwick3_000928, Spectrum2_001973, Spectrum3_001633, Spectrum4_000600, Spectrum5_001512, Lopac-N-8534

Molecular Formula: C12H10F3N3O4Molecular Weight: 317.220710 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: XWXYUMMDTVBTOU-UHFFFAOYSA-N

• Paclitaxel
Synonyms: paclitaxel, Yewtaxan, TAXOL, Plaxicel, Paxceed, Taxol A, Abraxane, Ebetaxel, Capxol, Paxene, Onxol, TaxAlbin, LipoPac, Genetaxyl, Nanotaxel, Paclical, Pacligel, Anzatax, Genaxol, Genexol

Molecular Formula: C47H51NO14Molecular Weight: 853.906140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 14

InChIKey: RCINICONZNJXQF-MZXODVADSA-N

• Pazopanib
IUPAC Name: 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide | CAS Registry Number: 444731-52-6
Synonyms: GW786034, UNII-7RN5DR86CK, CHEBI:71219, NCGC00188865-01, GW 78603, Pazopanib [INN], DSSTox_CID_28659, DSSTox_RID_82929, DSSTox_GSID_48733, 790713-33-6, Kinome_3790, CHEMBL477772, 5-(4-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-ylamino)-2-methylbenzenesulfonamide, 5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide, Benzenesulfonamide, 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-, CAS-444731-52-6, AKOS005145819, 5-[[4-[(2,3-dimethylindazol-6-yl)-methyl-amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide, ST51053493, pazopanibum

Molecular Formula: C21H23N7O2SMolecular Weight: 437.518020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: CUIHSIWYWATEQL-UHFFFAOYSA-N

• Pimavanserin
IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea | CAS Registry Number: 706779-91-1
Synonyms: 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methylpiperidin-4-yl)urea, AC-5273, ST51054136, I14-1981, CID10071196, 868855-07-6, SureCN675165, UNII-JZ963P0DIK, CTK6A8888, MolPort-008-155-976, DCL000930, AKOS015902593, AG-B-78949, RP07134, 1-[(4-fluorophenyl)methyl]-1-(1-methyl-4-piperidyl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, Y0393, A836958, 1-[(4-fluorophenyl)methyl]-1-(1-methyl-4-piperidinyl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide

Molecular Formula: C25H34FN3O2Molecular Weight: 427.554763 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RKEWSXXUOLRFBX-UHFFFAOYSA-N

• Pimecrolimus
Synonyms: Elidel, SDZ-ASM 981, 33-epi-Chloro-33-desoxyascomycin, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-((1E)-2-((1R,3R,4S)-4-chloro-3-methoxycyclohexyl)-1-methylethenyl)-8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-(2-(4-chloro-3-methoxycyclohexyl)-1-methylethenyl)-8-ethyl-, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S-(3R*(E(1S*,3S*,4R*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-

Molecular Formula: C43H68ClNO11Molecular Weight: 810.453120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: KASDHRXLYQOAKZ-OLHLVPFQSA-N

• Pirarubicin
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2S)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 72496-41-4
Synonyms: pirarubicin, Therarubicin, Therarubicin (TN), Pirarubicin (JP15/INN), NCGC00167982-01, D01885

Molecular Formula: C32H37NO12Molecular Weight: 627.635680 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 13

InChIKey: KMSKQZKKOZQFFG-HSUXVGOQSA-N

• Pizotifen Malate
Synonyms: Pizotifen malate, Sanomtgran, Mosegor, Litec malate, Pizotyline malate, Sandomigran malate, Sandomygran malate, BC 105 malate, Pizotifen hydrogen malate, Prestwick0_000992, Prestwick1_000992, Prestwick2_000992, Prestwick3_000992, BSPBio_001083, SPECTRUM1505003, SPBio_002974, BPBio1_001193, C19H21NS.C4H6O5, EINECS 225-970-4, MolPort-002-507-853

Molecular Formula: C23H27NO5SMolecular Weight: 429.529180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: IWAWCPZVTXCFKD-UHFFFAOYSA-N


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