按“信号通路”分类 - 小分子和化合物库

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乙酸阿比特龙酯
- ≥99%
CAS号: 154229-18-2

分子式: C₂₆H₃₃NO₂ 分子量: 391.55

IUPAC Name: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

SMILES: CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)C

InChIKey: UVIQSJCZCSLXRZ-UBUQANBQSA-N

InChI: 1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
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阿比特龙
- ≥99%
CAS号: 154229-19-3

分子式: C₂₄H₃₁NO 分子量: 349.52

IUPAC Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

SMILES: CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)O

InChIKey: GZOSMCIZMLWJML-VJLLXTKPSA-N

InChI: 1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1
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醋酸甲羟孕酮
- ≥98%
CAS号: 71-58-9 EC号: 200-757-9

分子式: C₂₄H₃₄O₄ 分子量: 386.52

IUPAC Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

SMILES: CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C

InChIKey: PSGAAPLEWMOORI-PEINSRQWSA-N

InChI: 1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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Orteronel,抑制剂
- ≥99%
CAS号: 566939-85-3

分子式: C₁₈H₁₇N₃O₂ 分子量: 307.35

IUPAC Name: 6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide

SMILES: CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O

InChIKey: OZPFIJIOIVJZMN-SFHVURJKSA-N

InChI: 1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
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泊沙康唑
- ≥99%
CAS号: 171228-49-2

分子式: C₃₇H₄₂F₂N₈O₄ 分子量: 700.78

IUPAC Name: 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one

SMILES: CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

InChIKey: RAGOYPUPXAKGKH-XAKZXMRKSA-N

InChI: 1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,See more
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3-苯氧基苯甲酸
- ≥98%
CAS号: 3739-38-6 Compound CID : 19539

分子式: C₁₃H₁₀O₃ 分子量: 214.22

IUPAC Name: 3-phenoxybenzoic acid

SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O

InChIKey: NXTDJHZGHOFSQG-UHFFFAOYSA-N

InChI: 1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
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Galeterone,CYP17抑制剂
- ≥98%
CAS号: 851983-85-2 Compound CID : 11188409

分子式: C₂₆H₃₂N₂O 分子量: 388.56

IUPAC Name: (3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

SMILES: CC12CCC(CC1=CCC3C2CCC4(C3CC=C4N5C=NC6=CC=CC=C65)C)O

InChIKey: PAFKTGFSEFKSQG-PAASFTFBSA-N

InChI: 1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
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托灭酸
- ≥98%
CAS号: 13710-19-5 EC号: 237-264-3 Compound CID : 610479

分子式: C₁₄H₁₂ClNO₂ 分子量: 261.7

IUPAC Name: 2-(3-chloro-2-methylanilino)benzoic acid

SMILES: CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O

InChIKey: YEZNLOUZAIOMLT-UHFFFAOYSA-N

InChI: 1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
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联苯苄唑
- ≥98%(HPLC)
CAS号: 60628-96-8

分子式: C₂₂H₁₈N₂ 分子量: 310.39

IUPAC Name: 1-[phenyl-(4-phenylphenyl)methyl]imidazole

SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4

InChIKey: OCAPBUJLXMYKEJ-UHFFFAOYSA-N

InChI: 1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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克霉唑
- ≥98%(HPLC)
CAS号: 23593-75-1 EC号: 245-764-8

分子式: C₂₂H₁₇ClN₂ 分子量: 344.84

IUPAC Name: 1-[(2-chlorophenyl)-diphenylmethyl]imidazole

SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4

InChIKey: VNFPBHJOKIVQEB-UHFFFAOYSA-N

InChI: 1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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Dinaciclib (SCH727965),新型CDK抑制剂
- ≥98%
CAS号: 779353-01-4

分子式: C₂₁H₂₈N₆O₂ 分子量: 396.49

IUPAC Name: 2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol

SMILES: CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCCC4CCO

InChIKey: PIMQWRZWLQKKBJ-SFHVURJKSA-N

InChI: 1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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吲哚美辛 (NSC-77541)
- ≥99%
CAS号: 53-86-1 EC号: 200-186-5

分子式: C₁₉H₁₆ClNO₄ 分子量: 357.79

IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O

InChIKey: CGIGDMFJXJATDK-UHFFFAOYSA-N

InChI: 1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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