小分子和化合物库

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  1. 拉罗皮兰
    CAS号 : 571170-77-9        Compound CID : 9867642
    分子式: C21H19ClFNO4S        分子量: 435.9
    IUPAC Name: 2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid
    SMILES: CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CCC3CC(=O)O)CC4=CC=C(C=C4)Cl)F
    InChIKey: NXFFJDQHYLNEJK-CYBMUJFWSA-N
    InChI: InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
  2. 碳环素(碳环PGI 2)
    CAS号 : 69552-46-1        Compound CID : 6436393
    分子式: C21H34O4        分子量: 350.49
    IUPAC Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
    SMILES: CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O
    InChIKey: XZFRIPGNUQRGPI-WBQKLGIQSA-N
    InChI: InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7+/t16-,17-,18+,19-,20+/m0/s1
  3. GSK-269984A
      规格或纯度 :
    • ≥99%
    CAS号 : 892664-04-9        Compound CID : 23696973
    分子式: C20H14Cl2FNNaO3        分子量: 429.22
    IUPAC Name: sodium;6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
    SMILES: C1=CC(=NC(=C1)C(=O)[O-])CC2=C(C=CC(=C2)Cl)OCC3=C(C=C(C=C3)Cl)F.[Na+]
    InChIKey: ROPHIKMBWGQPQO-UHFFFAOYSA-M
    InChI: InChI=1S/C20H14Cl2FNO3.Na/c21-14-6-7-19(27-11-12-4-5-15(22)10-17(12)23)13(8-14)9-16-2-1-3-18(24-16)20(25)26;/h1-8,10H,9,11H2,(H,25,26);/q;+1/p-1
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