WHO基本药物配体 - 小分子和化合物库

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紫杉醇
- ≥99%
CAS号: 33069-62-4

分子式: C₄₇H₅₁NO₁₄ 分子量: 853.91

IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-See more

SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

InChIKey: RCINICONZNJXQF-MZXODVADSA-N

InChI: 1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(See more
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(±)-沙利度胺
- ≥98%
CAS号: 50-35-1 EC号: 200-031-1 Compound CID : 5426

分子式: C₁₃H₁₀N₂O₄ 分子量: 258.23

IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O

InChIKey: UEJJHQNACJXSKW-UHFFFAOYSA-N

InChI: 1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
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多烯紫杉醇
- ≥98%
CAS号: 114977-28-5

分子式: C₄₃H₅₃NO₁₄ 分子量: 807.88

IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3See more

SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

InChI: 1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9See more
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来那度胺
- ≥99%
CAS号: 191732-72-6 EC号: 691-297-1

分子式: C₁₃H₁₃N₃O₃ 分子量: 259.27

IUPAC Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

SMILES: C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N

InChIKey: GOTYRUGSSMKFNF-UHFFFAOYSA-N

InChI: 1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)
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(±)-沙利度胺
- 10mM in DMSO
CAS号: 50-35-1 EC号: 200-031-1 Compound CID : 5426

分子式: C₁₃H₁₀N₂O₄ 分子量: 258.23

IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O

InChIKey: UEJJHQNACJXSKW-UHFFFAOYSA-N

InChI: 1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
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