小分子和化合物库

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显示第112个,产品总数83

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  1. 4-香豆酸
    CAS号 : 501-98-4        Compound CID : 637542
    分子式: C9H8O3        分子量: 164.16
    IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid
    SMILES: C1=CC(=CC=C1C=CC(=O)O)O
    InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N
    InChI: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
  2. MK 1903,GPR109A(HCA2)激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1268882-43-4        Compound CID : 49763030
    分子式: C8H8N2O2        分子量: 164.16
    IUPAC Name: (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
    SMILES: C1C2C1C3=C(C2)C(=NN3)C(=O)O
    InChIKey: CUTZNERBKDMLAP-QWWZWVQMSA-N
    InChI: InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1
  3. GSK256073
      规格或纯度 :
    • ≥99%
    CAS号 : 862892-90-8        Compound CID : 46215799
    分子式: C10H13ClN4O2        分子量: 256.69
    IUPAC Name: 8-chloro-3-pentyl-7H-purine-2,6-dione
    SMILES: CCCCCN1C2=C(C(=O)NC1=O)NC(=N2)Cl
    InChIKey: CGAMDQCXAAOFSR-UHFFFAOYSA-N
    InChI: InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)
  4. 4-fluoro-5-methyl-1H-pyrazole-3-carboxylic acid
    CAS号 : 681034-58-2        Compound CID : 24180571
    分子式: C5H5FN2O2        分子量: 144.1
    IUPAC Name: 4-fluoro-5-methyl-1H-pyrazole-3-carboxylic acid
    SMILES: CC1=C(C(=NN1)C(=O)O)F
    InChIKey: GCCITEYZWDUSEN-UHFFFAOYSA-N
    InChI: InChI=1S/C5H5FN2O2/c1-2-3(6)4(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10)
  5. 阿西莫司
    CAS号 : 51037-30-0        Compound CID : 5310993
    分子式: C6H6N2O3        分子量: 154.12
    IUPAC Name: 5-methyl-4-oxidopyrazin-4-ium-2-carboxylic acid
    SMILES: CC1=CN=C(C=[N+]1[O-])C(=O)O
    InChIKey: DJQOOSBJCLSSEY-UHFFFAOYSA-N
    InChI: InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)
  6. 5-甲基烟酸
    CAS号 : 3222-49-9        Compound CID : 256208
    分子式: C7H7NO        分子量: 137.14
    IUPAC Name: 5-methylpyridine-3-carboxylic acid
    SMILES: CC1=CC(=CN=C1)C(=O)O
    InChIKey: DJDHHXDFKSLEQY-UHFFFAOYSA-N
    InChI: InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
  7. MK-6892
    CAS号 : 917910-45-3        Compound CID : 135416394
    分子式: C19H22N4O5        分子量: 386.4
    IUPAC Name: 2-[[3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl]amino]cyclohexene-1-carboxylic acid
    SMILES: CC(C)(CC1=NC(=NO1)C2=NC=C(C=C2)O)C(=O)NC3=C(CCCC3)C(=O)O
    InChIKey: CJHXBFSJXDUJHP-UHFFFAOYSA-N
    InChI: InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)
  8. 烟酸
    CAS号 : 59-67-6        Compound CID : 938
    分子式: C6H5NO2        分子量: 123.11
    IUPAC Name: pyridine-3-carboxylic acid
    SMILES: C1=CC(=CN=C1)C(=O)O
    InChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-N
    InChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
  9. 烟酸
    CAS号 : 59-67-6        Compound CID : 938
    分子式: C6H5NO2        分子量: 123.11
    IUPAC Name: pyridine-3-carboxylic acid
    SMILES: C1=CC(=CN=C1)C(=O)O
    InChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-N
    InChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
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