小分子和化合物库

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4 项目

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  1. Scriptaid,HDAC抑制剂
    CAS号 : 287383-59-9        Compound CID : 5186
    分子式: C18H18N2O4        分子量: 326.35
    IUPAC Name: 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
    SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NO
    InChIKey: JTDYUFSDZATMKU-UHFFFAOYSA-N
    InChI: InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
  2. N-羟基-N'-苯基辛二酰胺
    CAS号 : 149647-78-9        Compound CID : 5311
    分子式: C14H20N2O3        分子量: 264.32
    IUPAC Name: N'-hydroxy-N-phenyloctanediamide
    SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO
    InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N
    InChI: InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
  3. 银杏内酯B
    CAS号 : 15291-77-7        Compound CID : 65243
    分子式: C20H24O10        分子量: 424.4
    IUPAC Name: 8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
    SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
    InChIKey: SQOJOAFXDQDRGF-UHFFFAOYSA-N
    InChI: InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3
  4. 银杏内酯 C
    CAS号 : 15291-76-6        Compound CID : 24721502
    分子式: C20H24O11        分子量: 440.4
    IUPAC Name: (1R,3R,6R,7S,8S,9R,10S,11R,12S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
    SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O
    InChIKey: AMOGMTLMADGEOQ-PYLUGNSCSA-N
    InChI: InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8-,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1
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