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Shanghai Rainbow Chemistry Co., Ltd.

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Profile: Shanghai Rainbow Chemistry Co., Ltd. specializes in developing and manufacturing APIs and pharmaceutical intermediates. We provide 5-bromo-2-cyanopyridine, 2-bromo-5-cyanopyridine, 2-chloro-5-cyanopyridine, pyridine-3,4-dicarboxylic anhydride, 3-amino-2-bromopyridine, 2-amino-5-bromo-3-nitropyridine , 2,3-dibromopyridine, 6-aminonicotinic acid, 5-bromonicotinic acid ethyl ester, 2-chloro-5-aminopyridine, 2-chloro-4-methylpyridine, 2-bromo-3-trifluoromethylpyridine, diminazene and bucillamin.

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• Acetic acid, 2-[[(4-methoxy-3-nitrophenyl)methyl]sulfonyl]-

IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfonyl]acetic acid | CAS Registry Number: 592542-51-3
Synonyms: 2-((4-Methoxy-3-nitrobenzyl)sulfonyl)acetic acid, 2-(4-methoxy-3-nitrobenzylsulfonyl)acetic acid, 4-METHOXY-3-NITROBENZYLSULFONYLACETIC ACID, 3-NITRO-4-METHOXYBENZYL-SULFONYLACETIC ACID, 3-NITRO-4-METHOXYBENZYL SULFONYL ACETIC ACID, 3-Nitro-4-methoxybenzyl sulfonylacetic acid, 3-Nitro-4-methoxy benzoyl sulfonyl acetic acid, PubChem21407, SureCN498467, CTK1G9508, MolPort-005-175-143, ACN-S001455, ACT04790, ANW-46141, SBB063474, AKOS009225033, AG-A-62019, AG-G-10884, RP29998, AK-32456

Molecular Formula:	C₁₀H₁₁NO₇S	Molecular Weight:	289.261840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: ZHUCRFJQVSHBJR-UHFFFAOYSA-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:	C₃₀H₅₃N₃O₆	Molecular Weight:	551.758320 [g/mol]
H-Bond Donor:	4	H-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:	C₂₂H₁₈N₄OS	Molecular Weight:	386.469520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: RITAVMQDGBJQJZ-FMIVXFBMSA-N

• Benzene, 5-bromo-1,2,3-trichloro-

IUPAC Name: 5-bromo-1,2,3-trichlorobenzene | CAS Registry Number: 21928-51-8
Synonyms: 5-bromo-1,2,3-trichlorobenzene, 3,4,5-TRICHLOROBROMOBENZENE, AG-E-59994, PubChem23062, ACMC-209fpm, SureCN10872330, KSC497I6L, AC1N46F7, CTK3J7465, MolPort-003-922-629, ACN-S004532, ANW-24632, QC-414, AKOS005258974, AM62698, MCULE-1480064880, OR40034, RP29281, RP29282, AK-34143

Molecular Formula:	C₆H₂BrCl₃	Molecular Weight:	260.343080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: VZUMVBQMJFFYRM-UHFFFAOYSA-N

• Benzoic acid, 2-[(6-hydroxy[1,1'-biphenyl]-3-yl)carbonyl]-

IUPAC Name: 2-(4-hydroxy-3-phenylbenzoyl)benzoic acid | CAS Registry Number: 84627-04-3
Synonyms: Fendizoic acid, 2-(6-HYDROXY-BIPHENYL-3-CARBONYL)-BENZOIC ACID, FENDIZOATE, AC1L4T0A, SureCN9455577, CHEMBL2104248, CTK7J9523, SBB066191, AKOS015855850, AG-K-08573, RL05199, 2-(4-hydroxy-3-phenylbenzoyl)benzoic acid, KB-223513, 2-[(6-hydroxybiphenyl-3-yl)carbonyl]benzoic acid, A840884, 2-(4-oxidanyl-3-phenyl-phenyl)carbonylbenzoic acid, I06-1058, 2-[(4-hydroxy-3-phenylphenyl)-oxomethyl]benzoic acid

Molecular Formula:	C₂₀H₁₄O₄	Molecular Weight:	318.322760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: PKHPZNKXOBWFCX-UHFFFAOYSA-N

• Bleomycin Sulfate

IUPAC Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium | CAS Registry Number: 9041-93-4
Synonyms: bleomycin, Bleomycins, Bleomicin, Bleocin, bleomycin a2, bleomycin B2, Bleomycin A(2), Bleomycin B(2), Bleomycine [INN-French], Bleomycinum [INN-Latin], Bleomicina [INN-Spanish], CCRIS 2754, HSDB 3208, NSC 125066, C55H85N17O21S3, LMPK03000007, LS-524, NDC 0015-3010, 11056-06-7, 1400-95-9

Molecular Formula:	C₅₅H₈₄N₁₇O₂₁S₃+	Molecular Weight:	1415.551760 [g/mol]
H-Bond Donor:	20	H-Bond Acceptor:	30

InChIKey: OYVAGSVQBOHSSS-WXFSZRTFSA-O

• 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:	C₂₆H₂₉Cl₂N₅O₃	Molecular Weight:	530.446160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N

• bucillamine

IUPAC Name: (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid | CAS Registry Number: 65002-17-7
Synonyms: Tiobutarit, Bucilant, Rimatil, Bucilant (TN), Bucillamine (JP15/INN), De-019, SA-96, D01809

Molecular Formula:	C₇H₁₃NO₃S₂	Molecular Weight:	223.313020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: VUAFHZCUKUDDBC-BYPYZUCNSA-N

• Cinchomeronic Acid

IUPAC Name: pyridine-3,4-dicarboxylic acid | CAS Registry Number: 490-11-9
Synonyms: CINCHOMERONIC ACID, Chinchomeronic acid, 3,4-Pyridinedicarboxylic acid, Pyridine-3,4-dicarboxylic acid, pyridine carboxylate, 6e, Oprea1_020498, P64006_ALDRICH, TPC-PY060, NSC178, CHEBI:46860, NSC 178, AIDS020404, AIDS-020404, CID10273, EINECS 207-705-4, ST5307918, InChI=1/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12

Molecular Formula:	C₇H₅NO₄	Molecular Weight:	167.118900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: MUYSADWCWFFZKR-UHFFFAOYSA-N

• Ciprofibrate

IUPAC Name: 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid | CAS Registry Number: 52214-84-3
Synonyms: Lipanor, Modalim, Hiperlipen, Hyperlipen, Oroxadin, Ciprol, nchembio790-comp23, Ciprofibratum [INN-Latin], Ciprofibrato [INN-Spanish], Prestwick0_001076, Prestwick1_001076, Prestwick2_001076, Prestwick3_001076, CCRIS 173, Ciprofibrate (USAN/INN), Ciprofibrate [USAN:BAN:INN], Lopac0_000168, BSPBio_001092, MLS002154143, C0330_SIGMA

Molecular Formula:	C₁₃H₁₄Cl₂O₃	Molecular Weight:	289.154460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: KPSRODZRAIWAKH-UHFFFAOYSA-N

• Cladribine

IUPAC Name: (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 4291-63-8
Synonyms: Leustatin, Chlorodeoxyadenosine, Cladarabine, 2-Chlorodeoxyadenosine, 2-Chloro-2'-deoxyadenosine, Leustatin (TN), 2-CdA, 2 Chlorodeoxyadenosine, 2CdA, 2-Chloro-2'-deoxy-beta-adenosine, MLS000028377, MLS000028484, MLS000759397, MLS001077345, Cladribine (JAN/USAN/INN), Cladribine [USAN:BAN:INN], Cladribine [USAN:INN:BAN], Adenosine, 2-chloro-2'-deoxy, C10H12ClN5O3.C3H8, NSC 105014-F

Molecular Formula:	C₁₀H₁₂ClN₅O₃	Molecular Weight:	285.686980 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: PTOAARAWEBMLNO-KVQBGUIXSA-N

• Cyclopropylboronic Acid

IUPAC Name: cyclopropylboronic acid | CAS Registry Number: 411235-57-9
Synonyms: Cyclopropylboronic acid, Cyclopropyl Boronic Acid, cyclopropylboranediol, Cyclopropylboronicacid, AG-F-46218, cyclopropyl-boronic acid, Boronocyclopropane, CYPBA, PubChem4014, ACMC-1AMNO, SureCN9068, AC1MC3PW, 1-BORONOCYCLOPROPANE, KSC235O4H, CYCLOPROPANEBORONIC ACID, 597988_ALDRICH, CTK1D5743, B-CYCLOPROPYL-BORONIC ACID, QCR-242, MolPort-000-139-514

Molecular Formula:	C₃H₇BO₂	Molecular Weight:	85.897480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: WLVKDFJTYKELLQ-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:	C₄₃H₅₃NO₁₄	Molecular Weight:	807.879220 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Doxorubicin Hydrochloride

IUPAC Name: (7S,9S)-7-[(2R,4S,5S,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: 25316-40-9
Synonyms: Adriamycin, Adriacin, Doxil, Rubex, Adriamycin (TN), Adriacin (TN), Prestwick_188, Doxil (TN), Rubex (TN), ADRIAMYCIN, HYDROCHLORIDE, MLS000028393, MLS000049969, MLS000049970, MLS000049971, MLS000070047, MLS000392861, MLS000392871, MLS000392881, MLS000392891, MLS000392901

Molecular Formula:	C₂₇H₃₀ClNO₁₁	Molecular Weight:	579.980200 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	12

InChIKey: MWWSFMDVAYGXBV-RUELKSSGSA-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:	C₂₇H₃₀ClNO₁₁	Molecular Weight:	579.980200 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	12

InChIKey: MWWSFMDVAYGXBV-FGBSZODSSA-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:	C₁₀H₁₃FN₅O₇P	Molecular Weight:	365.211684 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	13

InChIKey: GIUYCYHIANZCFB-FJFJXFQQSA-N

• Fludarabine (base)

IUPAC Name: (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 21679-14-1
Synonyms: Fludarabine, fludara, FaraA, SQ Fludarabine, 2-Fluoro Ara-A, Fludarabinum [Latin], Fludarabina [Spanish], F-Ara-A, Fludarabine [INN], fludarabine phosphate, 2-F-ara-A, CCRIS 3382, HSDB 6964, MLS000028687, C10H12FN5O4, EINECS 244-525-5, NSC 118218H, NSC 118218, 9-beta-D-Arabinosyl-2-fluoroadenine, 2-Fluoro-9-beta-D-arabinofuranosyladenine

Molecular Formula:	C₁₀H₁₂FN₅O₄	Molecular Weight:	285.231783 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: HBUBKKRHXORPQB-FJFJXFQQSA-N

• Granisetron Base

IUPAC Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide | CAS Registry Number: 109889-09-0
Synonyms: granisetron, Granisetron (USAN/INN), CID5284566, C07023, D04370, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide

Molecular Formula:	C₁₈H₂₄N₄O	Molecular Weight:	312.409360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MFWNKCLOYSRHCJ-AGUYFDCRSA-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:	C₂₆H₂₈ClNO₉	Molecular Weight:	533.954820 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	10

InChIKey: JVHPTYWUBOQMBP-RVFAQHLVSA-N

• masitinib

IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide | CAS Registry Number: 790299-79-5
Synonyms: Masitinib, Masivet, AB1010, AB-1010, AB 1010, CHEMBL1908391, CHEBI:63450, AB1010, Masivet, Masitinib, 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]phenyl]benzamide, N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide, Masitinib (INN), 4-((4-Methylpiperazin-1-yl)methyl)-N-(4-methyl-3-((4-(pyridin-3-yl)-1,3-thiazol-2-yl)amino)phenyl)benzamide, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)benzamide, S1064_Selleck, UNII-M59NC4E26P, cc-179, CTK8E8465, HMS3244J04, HMS3244J08, HMS3244J12

Molecular Formula:	C₂₈H₃₀N₆OS	Molecular Weight:	498.642400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: WJEOLQLKVOPQFV-UHFFFAOYSA-N

• Mequitazine

IUPAC Name: 10-(1-azabicyclo[2.2.2]octan-8-ylmethyl)phenothiazine | CAS Registry Number: 29216-28-2
Synonyms: mequitazine, Primalan, Virginan, Mircol, Metaplexan, Instotal, Vigigan, Quitadrill, Kitazemin, Mequitazina [Spanish], Kitazemin (TN), Mequitazinum [INN-Latin], Mequitazina [INN-Spanish], mequitazine hydrochloride, Mequitazine (JP15/INN), LM 209, MLS000757058, MLS001201790, NSC303612, Italfarmaco brand of mequitazine

Molecular Formula:	C₂₀H₂₂N₂S	Molecular Weight:	322.467080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HOKDBMAJZXIPGC-UHFFFAOYSA-N

• Mesna

IUPAC Name: sodium 2-sulfanylethanesulfonate | CAS Registry Number: 19767-45-4
Synonyms: mesna, Uromitexan, Mesnex, Mistabronco, Mistabron, Mucofluid, Mitexan, Mesnum, coenzyme M, Ifex/Mesnex Kit, Uromitexan (TN), Mesnum [INN-Latin], Mesnex (TN), Prestwick_1005, Ifosfamide/Mesna Kit, Mesna [USAN:BAN:INN], Spectrum2_000752, Spectrum3_001483, Spectrum4_000041, Spectrum5_001174

Molecular Formula:	C₂H₅NaO₃S₂	Molecular Weight:	164.179070 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XOGTZOOQQBDUSI-UHFFFAOYSA-M

• Methyl 5-bromonicotinate

IUPAC Name: 5-bromo-N-methylpyridine-2-carboxamide | CAS Registry Number: 845305-87-5
Synonyms: N-Methyl 5-bromopicolinamide, 5-Bromo-N-methylpicolinamide, 5-Bromo-N-methylpyridine-2-carboxamide, ACMC-209pv5, SureCN1095318, N-methyl-5-bromopicolinamide, N-Methyl 5-bromopicolinamide,, CTK3E7355, MolPort-001-758-667, ANW-37791, ZINC08699973, AKOS012252335, AG-A-84444, OR11592, AK-61954, KB-58514, B-4163, I14-24890, 5-Bromo-N-methylpyridine-2-carboxamide;N-Methyl 5-bromopicolinamide;N-methyl 5-bromopyridine-2-carboxamide

Molecular Formula:	C₇H₇BrN₂O	Molecular Weight:	215.047280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OHYCXPXWHPWYFX-UHFFFAOYSA-N

• Methyl 5-chloropyrazine-2-carboxylate

IUPAC Name: methyl 5-chloropyrazine-2-carboxylate | CAS Registry Number: 33332-25-1
Synonyms: Methyl 5-chloro-2-pyrazinecarboxylate, Methyl-5-chloropyrazine-2-carboxylate, 2-chloro-5-carbomethoxy-pyrazine, methyl-5-chlorpyrazin-2-carboxylat, SBB053941, NSC723999, PubChem21394, methyl 5-chloropyrazinoate, ACMC-209i0d, AC1L8Q4T, AC1Q43YC, KSC222G8P, AC1Q43P6, CHEMBL327028, CTK1C2387, MolPort-005-934-940, BH460, ACN-S001449, ACN-S004370, ACT01750

Molecular Formula:	C₆H₅ClN₂O₂	Molecular Weight:	172.569100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: CVVMLRFXZPKILB-UHFFFAOYSA-N

• Methyl 6-aminonicotinate

IUPAC Name: methyl 6-aminopyridin-1-ium-3-carboxylate | CAS Registry Number: 36052-24-1
Synonyms: ZINC00167664, CID6933770

Molecular Formula:	C₇H₉N₂O₂+	Molecular Weight:	153.158560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: JACPDLJUQLKABC-UHFFFAOYSA-O

• Mitomycin

Synonyms: mitomycin C, Ametycine, Mutamycin, Ametycin, Mitomycin-C, Mitomycinum, Mitozytrex, Mytozytrex, Mitamycin, Mytomycin, Mitocin-C, Mitomycinum C, Mitomycins, Muamycin, Mitocin C, Mito-C, Mitomycin (TN), Muamycin (TN), Mit-C, Mitomycyna C [Polish]

Molecular Formula:	C₁₅H₁₈N₄O₅	Molecular Weight:	334.327220 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: NWIBSHFKIJFRCO-WUDYKRTCSA-N

• N,N-Dimethyl-1,4-Phenylenediamine Oxalate

IUPAC Name: 1-N,1-N-dimethylbenzene-1,4-diamine; oxalic acid | CAS Registry Number: 62778-12-5
Synonyms: 409758_ALDRICH, 99-98-9 (Parent), EINECS 263-723-2, CID112942, Bis((p-aminophenyl)dimethylammonium) oxalate, N,N-Dimethyl-p-phenylenediamine oxalate, LS-29602, N,N-Dimethyl-1,4-phenylenediamine oxalate, N,N-Dimethyl-1,4-benzenediamine Ethanedioate, N,N-Dimethyl-p-phenylenediamine Hemioxalate salt, 1,4-Benzenediamine, N,N-dimethyl-, ethanedioate (2:1), 1,4-Benzenediamine, N1,N1-dimethyl-, ethanedioate (2:1)

Molecular Formula:	C₁₈H₂₆N₄O₄	Molecular Weight:	362.423440 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: MNUINXKPLPIOEF-UHFFFAOYSA-N

• Propargylamine

IUPAC Name: prop-2-yn-1-amine | CAS Registry Number: 2450-71-7
Synonyms: 2-Propyn-1-amine, 2-PROPYNYLAMINE, 3-Amino-1-propyne, WLN: Z2UU1, P50900_ALDRICH, NSC80642, ZERO/008038, SBB002647

Molecular Formula:	C₃H₅N	Molecular Weight:	55.078500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: JKANAVGODYYCQF-UHFFFAOYSA-N

• Quinolinic Acid

IUPAC Name: pyridine-2,3-dicarboxylic acid | CAS Registry Number: 89-00-9
Synonyms: quinolinic acid, quinolinate, 2,3-pyridinedicarboxylic acid, Pyridine-2,3-dicarboxylic acid, pyridine-2,3-carboxylate, Spectrum_001525, Tocris-0225, Pyridine-2,3-dicarboxylate, pyridine carboxylate, 6c, Spectrum2_000929, Spectrum3_001502, Spectrum4_000336, Spectrum5_001170, 2,3-pyridinedicarboxylate, Lopac-P63204, 3,4-Pyridinedicarboxylic acid, Lopac0_000989, Oprea1_139764, Pyridine-3,4-dicarboxylic acid, BSPBio_003143

Molecular Formula:	C₇H₅NO₄	Molecular Weight:	167.118900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: GJAWHXHKYYXBSV-UHFFFAOYSA-N

• Tandutinib

IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide | CAS Registry Number: 387867-13-2
Synonyms: Tandutinib (USAN/INN), MLN-518, MLN 518, MLN-0518, NSC726292, CID3038522, CT53518, CT 53518, CT-53518, D06005, (4-(6-Methoxy-7-(3-piperidylpropoxy)quinazolin-4-yl)piperazinyl)-N-(4-(methylethoxy)phenyl)carboxamide, 1-Piperazinecarboxamide, 4-(6-methoxy-7-(3-(1-piperidinyl)propoxy)-4-quinazolinyl)-N-(4-(1-methylethoxy)phenyl)-

Molecular Formula:	C₃₁H₄₂N₆O₄	Molecular Weight:	562.702980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: UXXQOJXBIDBUAC-UHFFFAOYSA-N

• Tetrahydrothiopyran-4-one

IUPAC Name: thian-4-one | CAS Registry Number: 1072-72-6
Synonyms: Penthianone, 4-Oxothiane, 4-Thiacyclohexanone, 1-Thiacyclohexan-4-one, Tetrahydrothiopyranone, Tetrahydro-4-thiopyrone, 4-Oxotetrahydrothiopyran, Tetrahydro-4H-thiopyran-4-one, Tetrahydro-1,4-thiapyrone, Tetrahydro-1-thio-4-pyrone, 4H-Thiopyran-4-one, tetrahydro-, Tetrahydro-1-thio-gamma-pyrone, 155160_ALDRICH, 2,3,5,6-Tetrahydro-4-thiopyranone, Tetrahydro-1-thio-.gamma.-pyrone, ALBB-006274, NSC41599, EINECS 214-015-7, NSC 41599, ZINC01716966

Molecular Formula:	C₅H₈OS	Molecular Weight:	116.181420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: OVRJVKCZJCNSOW-UHFFFAOYSA-N

• Vandetanib

IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine | CAS Registry Number: 338992-00-0
Synonyms: Zactima, vande-tanib, Vandetanib [INN], 2ivu, Vandetanib (JAN/INN), ZD6474, CHEBI:49960, ZD 6474, ZD-6474, AZD-6474, CID3081361, NCGC00167513-01, LS-184394, D06407, C452423, N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-4-quinazolinamine, N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine, 4-Quninazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-, 443913-73-3, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

Molecular Formula:	C₂₂H₂₄BrFN₄O₂	Molecular Weight:	475.353963 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: UHTHHESEBZOYNR-UHFFFAOYSA-N

• 5-Bromo-2-iodopyridine

IUPAC Name: 5-bromo-2-iodopyridine | CAS Registry Number: 223463-13-6
Synonyms: TPC-PY050, 569607_ALDRICH, ZINC00369400, CID593690, STK049509, B258, TL806311

Molecular Formula:	C₅H₃BrIN	Molecular Weight:	283.892490 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HSNBRDZXJMPDGH-UHFFFAOYSA-N

• 4-Aminonicotinic acid

IUPAC Name: 4-aminopyridine-3-carboxylic acid | CAS Registry Number: 7418-65-7
Synonyms: 4-aminonicotinic acid, 4-Amino-nicotinic acid, 4-Amino Nicotinic Acid, TPC-PY092, 4-Amino-3-pyridinecarboxylic acid, 11585_FLUKA, NSC266130, ZINC00333065, ST5211895, TL8005122, AF-807/00322021

Molecular Formula:	C₆H₆N₂O₂	Molecular Weight:	138.124040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: IASBMUIXBJNMDW-UHFFFAOYSA-N

• 6-Hydroxy Indole

IUPAC Name: 1H-indol-6-ol | CAS Registry Number: 2380-86-1
Synonyms: 6-Hydroxyindole, 1H-indol-6-ol, ZINC00153921, CID524508, H2141G1, SL-02118, TL8001967, H-6060

Molecular Formula:	C₈H₇NO	Molecular Weight:	133.147280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: XAWPKHNOFIWWNZ-UHFFFAOYSA-N

• 2-Bromo-5-(trifluoromethyl)pyridine

IUPAC Name: 2-bromo-5-(trifluoromethyl)pyridine | CAS Registry Number: 50488-42-1
Synonyms: TPC-PY100, 661120_ALDRICH, ZINC00166552, 2-Bromo-5-Trifluoromethyl Pyridine, SPB 05624, CID2736434

Molecular Formula:	C₆H₃BrF₃N	Molecular Weight:	225.993930 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: GSKMWMFOQQBVMI-UHFFFAOYSA-N

• 5-Aminolevulinic acid hydrochloride

IUPAC Name: 5-amino-4-oxopentanoic acid hydrochloride | CAS Registry Number: 5451-09-2
Synonyms: Levulan, Levulan Kerastick, Gliolan, AlaCare, Aminolevulinic acid, Levulan (TN), ALA HCl, ALA-PDT, Aminolevulinic Acid HCl, Aminolevulinic acid hydrochloride, 5-Aminolevulinate hydrochloride, C5H9NO3.HCl, 5-ALA, delta-Aminolevulinic acid hydrochloride, A3785_SIGMA, A7793_SIGMA, SPECTRUM1504184, TPC-I025, 08339_FLUKA, 08340_FLUKA

Molecular Formula:	C₅H₁₀ClNO₃	Molecular Weight:	167.590800 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: ZLHFONARZHCSET-UHFFFAOYSA-N

• 2-Nitrobenzeneboronic acid

IUPAC Name: (2-nitrophenyl)boronic acid | CAS Registry Number: 5570-19-4
Synonyms: 2-Borononitrobenzene, 2-Nitrophenylboronic acid, 673862_ALDRICH, BM163, ST5408355

Molecular Formula:	C₆H₆BNO₄	Molecular Weight:	166.927140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: SFUIGUOONHIVLG-UHFFFAOYSA-N

• 5-Bromo-2-cyano-3-nitropyridine

IUPAC Name: 5-bromo-3-nitropyridine-2-carbonitrile | CAS Registry Number: 573675-25-9
Synonyms: Ambap5634, TPC-PY056, 662968_ALDRICH, ZINC04245007, 5-Bromo-2-Cyano-3-Nitropyridine, CID2769698, 5-Bromo-3-nitropyridine-2-carbonitrile

Molecular Formula:	C₆H₂BrN₃O₂	Molecular Weight:	228.002980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: OBVYONPVHIOJJZ-UHFFFAOYSA-N

• 5-Amino-2-Chloro Pyridine

IUPAC Name: 6-chloropyridin-3-amine | CAS Registry Number: 5350-93-6
Synonyms: 5-Amino-2-chloropyridine, NSC81, 2-Chloro-5-aminopyridine, 3-Amino-6-chloropyridine, 6-chloropyridin-3-ylamine, 3-Pyridinamine, 6-chloro-, TPC-PY039, 188778_ALDRICH, CID79305, EINECS 226-322-3, SBB004234, ZINC00331618, A139, TL806260, AC-907/25014053, InChI=1/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H

Molecular Formula:	C₅H₅ClN₂	Molecular Weight:	128.559600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: QAJYCQZQLVENRZ-UHFFFAOYSA-N

• 5-Bromo nicotinic acid methyl ester

IUPAC Name: methyl 5-bromopyridine-3-carboxylate | CAS Registry Number: 29681-44-5
Synonyms: Methyl 5-bromonicotinate, Maybridge3_004992, 657425_ALDRICH, 5-Bromonicotinic acid methyl ester, Methyl 5-bromopyridine-3-carboxylate, ZINC00077849, IDI1_016379, ST5307822, 5-Bromopyridine-3-carboxylic acid methyl ester

Molecular Formula:	C₇H₆BrNO₂	Molecular Weight:	216.032040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: AAJZXPWBILCHAW-UHFFFAOYSA-N

• 5-Amino-1,2,3-benzenetricarboxylic acid

IUPAC Name: 5-aminobenzene-1,2,3-tricarboxylic acid | CAS Registry Number: 37141-01-8
Synonyms: 1-Aminobenzene-3,4,5-tricarboxylic acid, 5-aminobenzene-1,2,3-tricarboxylic acid, AG-F-30036, 5-Amino-1,2,3-benzenetricarboxylicacid, 5-amino-benzene-1,2,3-tricarboxylic acid, 1-AMINO-3,4,5-BENZENETRICARBOXYLIC ACID, 1,2,3-BENZENETRICARBOXYLIC ACID, 5-AMINO-, 3,4,5-tricarboxyaniline, SureCN743743, AGN-PC-001EW9, CTK1C2389, MolPort-002-499-778, ACT04788, SBB063078, AKOS015888135, AB16271, RP27580, AC-12652, AK-23795, KB-64863

Molecular Formula:	C₉H₇NO₆	Molecular Weight:	225.154980 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: DEMLNKQMKMBNIU-UHFFFAOYSA-N

• 2,4-Dihydroxypyridine

IUPAC Name: 2-hydroxy-1H-pyridin-4-one | CAS Registry Number: 626-03-9
Synonyms: 3-Deazauracil, 2,4-Pyridinediol, 4-Hydroxy-2-pyridone, 2,4-DIHYDROXYPYRIDINE, pyridine-2,4-diol, 2(1H)-Pyridinone, 4-hydroxy-, 2(1H)-Pyridinone,4-hydroxy, 4-Hydroxy-2(1H)-pyridinone, 2(1H)-Pyridone, 4-hydroxy-, 176974_ALDRICH, NSC37839, 37945_FLUKA, EINECS 210-924-8, NSC 37839, NSC119859, AIDS081856, NSC 119859, AIDS-081856, SBB004331, ZINC03861292

Molecular Formula:	C₅H₅NO₂	Molecular Weight:	111.098700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ZEZJPIDPVXJEME-UHFFFAOYSA-N

• 2-Bromo-5-nitropyridine

IUPAC Name: 3-bromo-5-nitropyridine | CAS Registry Number: 15862-30-3
Synonyms: 3-Bromo-5-nitropyridine, AC1MC7IE, ACMC-1BQK8, 3-Bromo-5-nitropyridine,, SureCN529746, Pyridine,3-bromo-5-nitro-, 3-bromanyl-5-nitro-pyridine, CTK4C9760, MolPort-003-824-148, ANW-21776, CL0163, PYRIDINE, 3-BROMO-5-NITRO-, SBB065359, WTI-10724, ZINC14982289, AKOS015833832, AB17991, AG-L-22193, QC-6608, RP25972

Molecular Formula:	C₅H₃BrN₂O₂	Molecular Weight:	202.993520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WHYJVHQKKJHXTB-UHFFFAOYSA-N

• 2-Amino-5-Bromo Pyridine

IUPAC Name: 5-bromopyridin-2-amine | CAS Registry Number: 1072-97-5
Synonyms: 2-Amino-5-bromopyridine, 5-bromopyridin-2-amine, 5-Bromo-2-pyridylamine, Maybridge1_001149, 5-bromopyridin-2-ylamine, 2-Pyridinamine, 5-bromo-, 122858_ALDRICH, EINECS 214-019-9, NSC26282, SBB003823, TL806353, LS-184905, AJ-333/25022117

Molecular Formula:	C₅H₅BrN₂	Molecular Weight:	173.010600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WGOLHUGPTDEKCF-UHFFFAOYSA-N

• 4-(4-Bromo-2-Fluoroanilino)-6-Methoxy-7-[(1-Methylpiperidin-4-Yl)methoxy]quinazoline

IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine | CAS Registry Number: 443913-73-3
Synonyms: Vandetanib, Zactima, vande-tanib, 2ivu, Vandetanib [INN], Vandetanib (JAN/INN), ZD6474, UNII-YO460OQ37K, CHEBI:49960, ZD 6474, ZD-6474, AZD-6474, CID3081361, NCGC00167513-01, LS-184394, D06407, C452423, N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-4-quinazolinamine, N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine, 4-Quninazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-

Molecular Formula:	C₂₂H₂₄BrFN₄O₂	Molecular Weight:	475.353963 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: UHTHHESEBZOYNR-UHFFFAOYSA-N

• 2,6-Difluoro Pyridine

IUPAC Name: 2,6-difluoropyridine | CAS Registry Number: 1513-65-1
Synonyms: 2,6-DIFLUOROPYRIDINE, Pyridine, 2,6-difluoro-, Ambap3086, 2,6-Difluoro-pyridine, CCRIS 1720, TPC-PY089, 233277_ALDRICH, EINECS 216-152-8, NSC331814, NSC 331814, CID73934, ZINC00388533, D230, TL806316, LS-188236

Molecular Formula:	C₅H₃F₂N	Molecular Weight:	115.080826 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: MBTGBRYMJKYYOE-UHFFFAOYSA-N

• 3-Nitro-O-Cresol

IUPAC Name: 2-methyl-3-nitrophenol | CAS Registry Number: 5460-31-1
Synonyms: 2-Methyl-3-nitrophenol, 3-Nitro-o-cresol, Phenol, 2-methyl-3-nitro-, 2-Hydroxy-6-nitrotoluene, 6-Hydroxy-2-nitrotoluene, 106941_ALDRICH, 3-NITRO-2-METHYL PHENOL, NSC25009, EINECS 226-739-0, SBB008485, ZINC00163570, FR-2158, TL8003577, InChI=1/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H

Molecular Formula:	C₇H₇NO₃	Molecular Weight:	153.135380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GAKLFAZBKQGUBO-UHFFFAOYSA-N

• 3-Amino-6-bromopyridine

IUPAC Name: 6-bromopyridin-3-amine | CAS Registry Number: 13534-97-9
Synonyms: 6-bromopyridin-3-amine, 3-pyridinamine, 6-bromo-, TPC-PY088, Pyridine, 3-amino-6-bromo-, 552844_ALDRICH, ZINC01427060, CID642811, A163, TL8000826, A3636/0154273, InChI=1/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H

Molecular Formula:	C₅H₅BrN₂	Molecular Weight:	173.010600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XTHKRYHULUJQHN-UHFFFAOYSA-N

• 2-(Chloro-Trifluoromethy)Pyridine

IUPAC Name: 2-chloro-3-(trifluoromethyl)pyridine | CAS Registry Number: 65753-47-1
Synonyms: TPC-PY034, 2-Chloro-3-(trifluoromethyl)pyridine, 2-Chloro-3-trifluoromethylpyridine, 469378_ALDRICH, ZINC02584285, CID589833, C240, TL8004664, 3S210998

Molecular Formula:	C₆H₃ClF₃N	Molecular Weight:	181.542930 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: RXATZPCCMYMPME-UHFFFAOYSA-N