Shanghai Yingxuan Chempharm Co., Ltd.

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Profile: Shanghai Yingxuan Chempharm Co., Ltd. is a manufacturer of glyco-compounds, heterocyclic compounds, amino acids, peptides, alkaloids, and various drug intermediates.

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• (5-(3-(5-(Piperidin-1-ylmethyl)-1H-indol-2-yl)-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl)methanol

IUPAC Name: [5-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]triazolidin-4-yl]methanol | CAS Registry Number: 916767-35-6
Synonyms: (5-(3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl)methanol

Molecular Formula:	C₂₄H₃₇N₇O	Molecular Weight:	439.596880 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	7

InChIKey: AYSAUZLZJSLVDA-UHFFFAOYSA-N

• 1-(3-Chlorophenylamino)-4-phenylphthalazine

IUPAC Name: N-(3-chlorophenyl)-4-phenylphthalazin-1-amine | CAS Registry Number: 78351-75-4
Synonyms: Tocris-0432, SpecPlus_000807, Spectrum2_001820, Spectrum3_001763, BSPBio_001360, BSPBio_003225, KBioGR_000080, KBioSS_000080, DivK1c_006903, MY-5445, SPBio_001839, KBio1_001847, KBio2_000080, KBio2_002648, KBio2_005216, KBio3_000159, KBio3_000160, KBio3_002725, MY 5445, CID1348

Molecular Formula:	C₂₀H₁₄ClN₃	Molecular Weight:	331.798260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CEHQLKSLMFIHBF-UHFFFAOYSA-N

• 2-[4-[(METHYLAMINO)CARBONYL]-1H-PYRAZOL-1-YL]-ADENOSINE

IUPAC Name: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide | CAS Registry Number: 313348-27-5
Synonyms: Regadenoson, Lexiscan, Regadenoson (USAN/INN), Regadenoson [USAN:INN], UNII-2XLN4Y044H, CVT 3146, CVT-3146, CHEBI:262546, CID219024, LS-193008, D05711, Adenosine, 2-(4-((methylamino)carbonyl)-1H-pyrazol-1-yl)-, (1-(9-(3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-6-aminopurin-2-yl)pyrazol-4-yl)-N-methylcarboxamide, 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide

Molecular Formula:	C₁₅H₁₈N₈O₅	Molecular Weight:	390.354020 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	10

InChIKey: LZPZPHGJDAGEJZ-AKAIJSEGSA-N

• 7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, 7-[CIS-3-(1-AZETIDINYLMETHYL)CYCLOBUTYL]-5-[3-(PHENYLMETHOXY)PHENYL]-

IUPAC Name: 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine | CAS Registry Number: 475489-16-8
Synonyms: NVP-AEW541, AEW-541, AEW541, AEW 541, 475488-34-7, SureCN94862, AGN-PC-009VBF, SureCN1441421, SureCN1987652, NVP AEW541, cc-535, NVP-AEW 541, UNII-97QB5037VR, CTK4J0098, BCPP000146, DCL000364, AG-F-61825, BCP9001006, CS-0448, PB19343

Molecular Formula:	C₂₇H₂₉N₅O	Molecular Weight:	439.552060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: AECDBHGVIIRMOI-UHFFFAOYSA-N

• 2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine

IUPAC Name: 2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine | CAS Registry Number: 446859-33-2
Synonyms: 1vjy, ALK5 Inhibitor II, CHEBI:406655, TGF-beta RI Kinase Inhibitor II, CID449054, IN1052, EN002636, 2-[3-(6-methylpyridin-2-yl)-2H-pyrazol-4-yl]-1,5-naphthyridine, Transforming Growth Factor-beta Type I Receptor Kinase Inhibitor II, 2-[3-(6-Methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-[1,5]naphthyridine

Molecular Formula:	C₁₇H₁₃N₅	Molecular Weight:	287.318620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LBPKYPYHDKKRFS-UHFFFAOYSA-N

• [(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3-b]furanyl Succinimidyl Carbonate

IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (2,5-dioxopyrrolidin-1-yl) carbonate | CAS Registry Number: 253265-97-3
Synonyms: RP29638, FT-0669660, [(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3-]furanyl Succinimidyl Carbonate, 1-[[[[(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl]oxy]carbonyl]oxy]-2,5-pyrrolidinedione, Carbonic Acid 2,5-Dioxo-1-pyrrolidinyl [(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl] Ester

Molecular Formula:	C₁₁H₁₃NO₇	Molecular Weight:	271.223420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: VCFNCYVHQSHFRH-MHYGZLNHSA-N

• 21-Aminoepothilone B

IUPAC Name: (1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione | CAS Registry Number: 280578-49-6
Synonyms: BMS-310705, 4,17-Dioxabicyclo(14.1.0)heptadecane-5,9-dione, 3-((1E)-2-(2-(aminomethyl)-4-thiazolyl)-1-methylethenyl)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-, (1S,3S,7S,10R,11S,12S,16R)-

Molecular Formula:	C₂₇H₄₂N₂O₆S	Molecular Weight:	522.697180 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: PFJFPBDHCFMQPN-RGJAOAFDSA-N

• 4-[[5-Amino-1-(2,6-Difluorobenzoyl)-1H-1,2,4-Triazol-3-Yl]amino]benzenesulfonamide

IUPAC Name: 4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide | CAS Registry Number: 443797-96-4
Synonyms: JNJ-7706621, JNJ7706621, JNJ 7706621, JNJ7706621, 443797-96-4, 4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-ylamino)benzenesulfonamide, 4-[[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide, JNJ7706621, JNJ-7706621, 3ama, 4-((5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl)amino)benzenesulfonamide, 4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide, 4-{[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino}benzenesulfonamide, RWJ-387252, S1249_Selleck, Kinome_3748, PubChem22455, AC1NS9N9, SureCN1060773, UNII-74GK72DON8, cc-474, CHEMBL191003

Molecular Formula:	C₁₅H₁₂F₂N₆O₃S	Molecular Weight:	394.355986 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	10

InChIKey: KDKUVYLMPJIGKA-UHFFFAOYSA-N

• 3,3'-(2,4-Diamino-6,7-Pteridinediyl)bisphenol

IUPAC Name: 3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol | CAS Registry Number: 677297-51-7
Synonyms: TG100-115, S1352_Selleck, 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol, TG-100115, CHEMBL230011, TG-100-115, 3,3'-(2,4-DIAMINO-6,7-PTERIDINEDIYL)BISPHENOL, 3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol, EN003068, 6,7-Bis(3-hydroxyphenyl)pteridine-2,4-diamine, TG100115, TG100-115, TG100115, 677297-51-7, CID10427712, SureCN360279, UNII-7ACH1U1E2M, C539252, cc-492, CTK2F1735, 3-(2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl)phenol, BCPP000047

Molecular Formula:	C₁₈H₁₄N₆O₂	Molecular Weight:	346.342760 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: UJIAQDJKSXQLIT-UHFFFAOYSA-N

• 1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-

IUPAC Name: 2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide | CAS Registry Number: 722544-51-6
Synonyms: AZD1152-HQPA, AZD-1152HQPA, AZD 1152, Barasertib, AZD1152, 722544-51-6, 2-[5-(7-{3-[Ethyl-(2-hydroxy-ethyl)-amino]-propoxy}-quinazolin-4-ylamino)-2H-pyrazol-3-yl]-N-(3-fluoro-phenyl)-acetamide, 5-[[7-[3-[Ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide, Barasertib, AZD1152-HQPA, INH 34, S1147_Selleck, Kinome_3323, PubChem16768, cc-48, SureCN1343965, UNII-29P8LWS24N, AZD1152-HQPA,Barasertib, SureCN10102580, AZD-1152-HQPA, AZD 1152 HQPA Barasertib, AZD-1152-HQPA;Barasertib, CHEMBL215152

Molecular Formula:	C₂₆H₃₀FN₇O₃	Molecular Weight:	507.559903 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: QYZOGCMHVIGURT-UHFFFAOYSA-N

• 4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one

IUPAC Name: 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one | CAS Registry Number: 405169-16-6
Synonyms: Kinome_1513, SureCN172687, SureCN949705, SureCN9975396, SureCN10330209, CTK4I3259, AG-F-43728, NCGC00249685-01, NCGC00249685-02, 196472-EP2270000A1, 2(1H)-Quinolinone,4-amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-, 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-quinolin-2-one, 2(1H)-Quinolinone,4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]- (9CI);4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one;Dovitinib, 4-AMINO-5-FLUORO-3-[6-(4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE

Molecular Formula:	C₂₁H₂₁FN₆O	Molecular Weight:	392.429443 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: KCOYQXZDFIIGCY-UHFFFAOYSA-N

• 2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine

IUPAC Name: (2R)-2-[[6-(phenylmethylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol | CAS Registry Number: 186692-46-6
Synonyms: roscovitine, R-Roscovitine, Seliciclib, (R)-roscovitine, Rosco, 2a4l, BiomolKI_000048, BiomolKI2_000054, CBiol_002016, Lopac0_001102, BSPBio_001078, KBioGR_000418, KBioSS_000418, InSolution™ Roscovitine, R7772_SIGMA, CYC 202, CYC-202, CYC202, BCBcMAP01_000013, KBio2_000418

Molecular Formula:	C₁₉H₂₆N₆O	Molecular Weight:	354.449340 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: BTIHMVBBUGXLCJ-OAHLLOKOSA-N

• 1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.0]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone

Synonyms: 2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine, Ethanone,2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)-, AGN-PC-005N47, CTK4F0791, AKOS016009780, AG-E-66894, AK114012, KB-76892, FT-0675012, 1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-7,8-dinitro-3-(trifluoroacetyl)- (9CI);, 1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone, 2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)ethanone

Molecular Formula:	C₁₃H₁₀F₃N₃O₅	Molecular Weight:	345.230810 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: BDTXJBWOCIFUMR-UHFFFAOYSA-N

• 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-b-oxo-, (3R,4R)-

IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile | CAS Registry Number: 477600-75-2
Synonyms: Tasocitinib, Tofacitinib, CP-690550, CP 690550, 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile, UNII-87LA6FU830, CHEBI:71200, Tofacitinib (USAN), Tofacitinib [USAN], CP690550, 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, CP-690550, Tasocitinib, CP690550, tofacitinibum, 3eyg, 3fup, 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile, Tasocitinib [INN], PubChem16767, Tofacitinib [USAN:INN], SureCN322753

Molecular Formula:	C₁₆H₂₀N₆O	Molecular Weight:	312.369600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-N

• 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-

IUPAC Name: N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | CAS Registry Number: 477600-74-1
Synonyms: N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, SureCN1120755, CTK4J0252, MolPort-000-140-291, ANW-44812, AKOS005258732, AKOS015899957, AG-F-62414, MB08014, RP28703, AK-29284, AB1006558, FT-0649540, B-1775, A827336, I14-11341, (3R,4R)-METHYL[(4-METHYLPIPERIDIN-3-YL)(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)]AMINE, 7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, N-METHYL-N-[(3R,4R)-4-METHYL-3-PIPERIDINYL]-

Molecular Formula:	C₁₃H₁₉N₅	Molecular Weight:	245.323460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XRIARWQZLGCQDM-KOLCDFICSA-N

• 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC Name: 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one | CAS Registry Number: 130049-82-0
Synonyms: AG-D-60926, 3-(2-Chloro-ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one, 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidine-4-one, 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, 4H-Pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-, PubChem13657, ACMC-1BYZ4, SureCN530941, AGN-PC-00PMH8, PYR319, Jsp001821, CTK4B6500, MolPort-003-845-827, ANW-51603, RW2415, SBB070863, AKOS015850555, AC-1499, LS40426

Molecular Formula:	C₁₁H₁₅ClN₂O₂	Molecular Weight:	242.702000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JKVUGXRJSYRXFN-UHFFFAOYSA-N

• (1S,2S,3R,5S)-(+)-2,3-Pinanediol

IUPAC Name: (1S,3R,4S,5S)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol | CAS Registry Number: 18680-27-8
Synonyms: (1S,2S,3R,5S)-(+)-2,3-pinanediol, (1S,2S,3R,5S)-(+)-Pinanediol, (+)-2-Hydroxyisopinocampheol, (1S,2S,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol, (1S,2S,3R,5S)-2,3-Pinanediol, Pinanediol, (+)-, PubChem17357, UNII-Y6ZCV4AVRA, 2alpha,3alpha-Pinanediol, SureCN621468, KSC174G4P, Jsp003826, CTK0H4347, MolPort-002-904-005, ACN-S003508, ACT02840, ANW-23308, CX1160, ZINC02539352, AKOS005256255

Molecular Formula:	C₁₀H₁₈O₂	Molecular Weight:	170.248720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MOILFCKRQFQVFS-OORONAJNSA-N

• [4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone

IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone | CAS Registry Number: 741713-40-6
Synonyms: R547, R-547, 741713-40-6 pound not R 547, (4-Amino-2-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}pyrimidin-5-Yl)(2,3-Difluoro-6-Methoxyphenyl)methanone, (4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone, SureCN2397067, UNII-T61871RKRI, cc-270, CS-0022, RL04812, NCGC00346632-01, HY-10014, KB-36226, FT-0687511, R 547, RO-4584820, Y0369, R547|741713-40-6|R-547, 4-Amino-2-(1-methylsulfonylpiperidin-4-yl)aminopyrimidin-5-yl(2,3-difluoro-6-methoxyphenyl)methanone, 5-(2,3-difluoro-6-methoxybenzoyl)-2-N-(1-methanesulfonylpiperidin-4-yl)pyrimidine-2,4-diamine

Molecular Formula:	C₁₈H₂₁F₂N₅O₄S	Molecular Weight:	441.452246 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	11

InChIKey: JRNJNYBQQYBCLE-UHFFFAOYSA-N

• 2-Pyrimidinamine,4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-

IUPAC Name: 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine | CAS Registry Number: 602306-29-6
Synonyms: AZD5438, AZD 5438, AZD-5438, 4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine, AZD-5438, AZD5438, 4-[2-METHYL-1-ISOPROPYL-1H-IMIDAZOL-5-YL]-N-[4-(METHYLSULFONYL)PHENYL]-2-PYRIMIDINAMINE, S2621_Selleck, PubChem19336, SureCN5092360, cc-215, AGN-PC-015B4P, CHEMBL488436, CHEBI:552952, MolPort-008-266-713, BCPP000368, ACN-S001860, ACT06825, AZD5438,AZD 5438, ABP000849, DNC009585

Molecular Formula:	C₁₈H₂₁N₅O₂S	Molecular Weight:	371.456640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: WJRRGYBTGDJBFX-UHFFFAOYSA-N

• 7-Ethyl-10-Hydroxycamptothecin

Synonyms: Camptothecin analog, SN-38, 7-Ethyl-10-hydroxycamptothecin, SN38, SN 38, 7-Ethyl-10-hydroxy-camptothecin, Captothecin, 7-ethyl-10-hydroxy-, NSC673596, AIDS058635, AIDS-058635, 7-Ethyl-10-hydroxy-20(S)-CPT, 7-ethyl-10-hydroxy-20(s)-campthothecin, 7-Ethyl-10-hydroxy-20(S)-camptothecin, NCI60_026056, SL-00817, LS-127394, TL8005626, C11173, (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,7-diethyl-4,10-dihydroxy-

Molecular Formula:	C₂₂H₂₀N₂O₅	Molecular Weight:	392.404600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: FJHBVJOVLFPMQE-QFIPXVFZSA-N

• 3-Aminophthalhydrazide

IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione | CAS Registry Number: 521-31-3
Synonyms: LUMINOL, 3-Aminophthalic hydrazide, 3-Aminophthalylhydrazide, 3-Aminophthalic acid hydrazide, CCRIS 5962, Oprea1_698774, Oprea1_819727, 5-aminophthalazine-1,4-diol, A8511_SIGMA, 123072_ALDRICH, 5-Amino-2,3-dihydro-1,4-phthalazinedione, NSC 5064, EINECS 208-309-4, NSC5064 (FREE ACID), 1,4-Phthalazinedione, 5-amino-2,3-dihydro-, NSC5064, AIDS009151, BB_SC-2667, AIDS-009151, CID10638

Molecular Formula:	C₈H₇N₃O₂	Molecular Weight:	177.160080 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: HWYHZTIRURJOHG-UHFFFAOYSA-N

• 1-[(2,4-Dichlorophenyl)methyl]-1H-indazole-3-carboxylic acid

IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid | CAS Registry Number: 50264-69-2
Synonyms: lonidamine, Doridamina, Diclondazolic acid, Lonidamin, DICA, Doridamina (TN), Lonidamine (INN), Lonidamine [BAN:INN], Lonidaminum [INN-Latin], Tocris-1646, Lonidamina [INN-Spanish], Lopac-L-4900, CCRIS 3516, Lopac0_000718, MLS000028822, L4900_SIGMA, C15H10Cl2N2O2, AF 1890, CHEBI:50138, EINECS 256-510-0

Molecular Formula:	C₁₅H₁₀Cl₂N₂O₂	Molecular Weight:	321.158100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WDRYRZXSPDWGEB-UHFFFAOYSA-N

• 6-o-Benzylguanine

IUPAC Name: 6-(phenylmethoxy)-7H-purin-2-amine | CAS Registry Number: 19916-73-5
Synonyms: o6-benzylguanine, 6-O-Benzylguanine, 6-Benzyloxyguanine, O(6)-Benzylguanine, 6-(Benzyloxy)guanine, O(6)-Bgua, O(6) Benzylguanine, 2-Amino-6-(benzyloxy)purine, 6-BENZYLGUANINE, Lopac-B-2292, Purine, 2-amino-6-(benzyloxy)-, Lopac0_000181, 2-Amino-6-(phenylmethoxy)-9H-purine, MLS000859930, MLS001074887, B2292_SIGMA, 1H-Purin-2-amine, 6-(phenylmethoxy)-, C12H11N5O, NSC637037, 6-(Phenylmethoxy)-1H-purin-2-amine

Molecular Formula:	C₁₂H₁₁N₅O	Molecular Weight:	241.248640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: KRWMERLEINMZFT-UHFFFAOYSA-N

• 3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one

IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one | CAS Registry Number: 284028-89-3
Synonyms: XAV 939, XAV-939, XAV939, XAV939, XAV-939, NVP-XAV 939, CHEBI:62878, 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, 2-[4-(Trifluoromethyl)phenyl]-7,8-Dihydro-5h-Thiopyrano[4,3-D]pyrimidin-4-Ol, XAV, S1180_Selleck, S1180 _Selleck, 3kr8, 3uh4, AC1MBK2K, Maybridge3_005018, SureCN7783488, cc-343, CHEMBL1086580, XAV939,XAV-939, CHEBI:731324

Molecular Formula:	C₁₄H₁₁F₃N₂OS	Molecular Weight:	312.310150 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: KLGQSVMIPOVQAX-UHFFFAOYSA-N

• 5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-Pyrido[4,3,2-de]phthalazin-3-one

Synonyms: BMN673, LT-673, BMN-673 (Racemic), SureCN2046086, KB-78209

Molecular Formula:	C₁₉H₁₄F₂N₆O	Molecular Weight:	380.350866 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: IUEWAGVJRJORLA-UHFFFAOYSA-N