小分子和化合物库

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  1. SL-327,MEK抑制剂
      规格或纯度 :
    • Moligand™
    • ≥98%
    • mixture of isomers
    CAS号 : 305350-87-2        Compound CID : 9549284
    分子式: C16H12F3N3S        分子量: 335.35
    IUPAC Name: (Z)-3-amino-3-(4-aminophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
    SMILES: C1=CC=C(C(=C1)C(=C(N)SC2=CC=C(C=C2)N)C#N)C(F)(F)F
    InChIKey: JLOXTZFYJNCPIS-FYWRMAATSA-N
    InChI: InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2/b15-13+
  2. Avacopan (CCX168)
    CAS号 : 1346623-17-3        Compound CID : 49841217
    分子式: C33H35F4N3O2        分子量: 581.64
    IUPAC Name: (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
    SMILES: CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)F
    InChIKey: PUKBOVABABRILL-YZNIXAGQSA-N
    InChI: InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1
  3. BAY 869766
    CAS号 : 923032-37-5        Compound CID : 44182295
    分子式: C19H20F3IN2O5S        分子量: 572.34
    IUPAC Name: N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
    SMILES: COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F
    InChIKey: RDSACQWTXKSHJT-NSHDSACASA-N
    InChI: InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1
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