配体家族 - 小分子和化合物库

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拉西地平
- ≥98%
CAS号: 103890-78-4

分子式: C₂₆H₃₃NO₆ 分子量: 455.54

IUPAC Name: diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)OCC)C)C

InChIKey: GKQPCPXONLDCMU-CCEZHUSRSA-N

InChI: 1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+
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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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托拉塞米
- ≥98%(HPLC)
CAS号: 56211-40-6 Compound CID : 41781

分子式: C₁₆H₂₀N₄O₃S 分子量: 348.42

IUPAC Name: 1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea

SMILES: CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C

InChIKey: NGBFQHCMQULJNZ-UHFFFAOYSA-N

InChI: 1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
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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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丙酸氯倍他索
- ≥98%
CAS号: 25122-46-7 EC号: 246-634-3

分子式: C₂₅H₃₂ClFO₅ 分子量: 466.97

IUPAC Name: [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

SMILES: CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl

InChIKey: CBGUOGMQLZIXBE-XGQKBEPLSA-N

InChI: 1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
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恩替诺特 (MS-275)
- ≥98%
CAS号: 209783-80-2

分子式: C₂₁H₂₀N₄O₃ 分子量: 376.41

IUPAC Name: pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate

SMILES: C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3

InChIKey: INVTYAOGFAGBOE-UHFFFAOYSA-N

InChI: 1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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Ritonavir (ABT-538)
- 10mM in DMSO
CAS号: 155213-67-5 Compound CID : 392622

分子式: C₃₇H₄₈N₆O₅S₂ 分子量: 720.94
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Fipexide
- ≥98%
CAS号: 34161-24-5

分子式: C₂₀H₂₁ClN₂O₄ 分子量: 388.84

IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone

SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl

InChIKey: BFUJHVVEMMWLHC-UHFFFAOYSA-N

InChI: 1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2
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ROCK inhibitor-2
- 10mM in DMSO
CAS号: 1127308-52-4 Compound CID : 51003130

分子式: C₂₁H₂₀N₂O₂ 分子量: 332.40
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Itraconazole-d3
- ≥99%
CAS号: 1217512-35-0

分子式: C₃₅H₃₅D₃Cl₂N₈O₄ 分子量: 708.65

IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

InChIKey: VHVPQPYKVGDNFY-UHFFFAOYSA-N

InChI: 1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14See more
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ROCK inhibitor-2
- ≥99%
CAS号: 1127308-52-4 Compound CID : 51003130

分子式: C₂₁H₂₀N₂O₂ 分子量: 332.40

IUPAC Name: N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide

SMILES: CC(C1=CC(=CC=C1)OC)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3

InChIKey: JRVSFZKYQCETAH-OAHLLOKOSA-N

InChI: 1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1
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HM03
- ≥99%
CAS号: 500565-15-1 Compound CID : 421105

分子式: C₂₆H₂₇ClN₄O₂ 分子量: 462.97

IUPAC Name: 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol

SMILES: CN1CCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=C(C=CC4=NC5=C3C=CC(=C5)Cl)OC)O

InChIKey: SUSDGTMJKOGWSZ-UHFFFAOYSA-N

InChI: 1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29)
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