配体家族 - 小分子和化合物库

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特拉匹韦
- ≥98%
CAS号: 402957-28-2 Compound CID : 3010818

分子式: C₃₆H₅₃N₇O₆ 分子量: 679.85

IUPAC Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrSee more

SMILES: CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3CCCC3CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5=NC=CN=C5

InChIKey: BBAWEDCPNXPBQM-GDEBMMAJSA-N

InChI: 1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2See more
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盐酸法倔唑
- ≥98%(HPLC)
CAS号: 102676-31-3

分子式: C₁₄H₁₃N₃·HCl 分子量: 259.73

IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrochloride

SMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl

InChIKey: UKCVAQGKEOJTSR-UHFFFAOYSA-N

InChI: 1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H
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NS 398,COX-2抑制剂
- ≥98%
CAS号: 123653-11-2

分子式: C₁₃H₁₈N₂O₅S 分子量: 314.36

IUPAC Name: N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide

SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2

InChIKey: KTDZCOWXCWUPEO-UHFFFAOYSA-N

InChI: 1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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Telaprevir
- 10mM in DMSO
CAS号: 402957-28-2 Compound CID : 3010818

分子式: C₃₆H₅₃N₇O₆ 分子量: 679.85

IUPAC Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrSee more

SMILES: CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3CCCC3CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5=NC=CN=C5

InChIKey: BBAWEDCPNXPBQM-GDEBMMAJSA-N

InChI: 1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2See more
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LHVS
- 10mM in DMSO
CAS号: 170111-28-1 Compound CID : 23648296

分子式: C₂₈H₃₇N₃O₅S 分子量: 527.68
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7,4'-Dihydroxyflavone
- 10mM in DMSO
CAS号: 2196-14-7 EC号: 805-431-5 Compound CID : 5282073

分子式: C₁₅H₁₀O₄ 分子量: 254.24
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L-873724
- ≥98%
CAS号: 603139-12-4 Compound CID : 9913088

分子式: C₂₃H₂₆F₃N₃O₃S 分子量: 481.53

IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

SMILES: CC(C)CC(C(=O)NCC#N)NC(C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F

InChIKey: VYFDSJLOCIGIKP-SFTDATJTSA-N

InChI: 1S/C23H26F3N3O3S/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(11-9-17)33(3,31)32/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1
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7,4'-二羟基黄酮
- ≥99%
CAS号: 2196-14-7 EC号: 805-431-5 Compound CID : 5282073

分子式: C₁₅H₁₀O₄ 分子量: 254.24

IUPAC Name: 7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O

InChIKey: LCAWNFIFMLXZPQ-UHFFFAOYSA-N

InChI: 1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
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LHVS
- ≥99%
CAS号: 170111-28-1 Compound CID : 23648296

分子式: C₂₈H₃₇N₃O₅S 分子量: 527.68

IUPAC Name: N-[(2R)-1-[[(E,3R)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide

SMILES: CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C=CS(=O)(=O)C2=CC=CC=C2)NC(=O)N3CCOCC3

InChIKey: YUMYYTORLYHUFW-ZUDLOMHPSA-N

InChI: 1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/b20-15+/tSee more
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(+)-Ketoconazole
- ≥99%
CAS号: 142128-59-4 EC号: 265-667-4

分子式: C₂₆H₂₈Cl₂N₄O₄ 分子量: 531.43

IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N

InChI: 1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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(+)-Ketoconazole
- 10mM in DMSO
CAS号: 142128-59-4 EC号: 265-667-4

分子式: C₂₆H₂₈Cl₂N₄O₄ 分子量: 531.43
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