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. DB07268,JNK1抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 929007-72-7        Compound CID : 16058637
    分子式: C17H15N5O2        分子量: 321.33
    IUPAC Name: 2-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzamide
    SMILES: C1=CC=C(C(=C1)C(=O)N)NC2=NC(=NC=C2)NC3=CC(=CC=C3)O
    InChIKey: QHPKKGUGRGRSGA-UHFFFAOYSA-N
    InChI: InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
  3. JNK-IN-7
      规格或纯度 :
    • ≥98%
    CAS号 : 1408064-71-0        Compound CID : 57340685
    分子式: C28H27N7O2        分子量: 493.56
    IUPAC Name: 3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
    SMILES: CN(C)CC=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CN=CC=C4
    InChIKey: RADRIIWGHYFWPP-WEVVVXLNSA-N
    InChI: InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
  4. SR 3576,JNK3抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 1164153-22-3        Compound CID : 70702008
    分子式: C27H27N5O5        分子量: 501.54
    IUPAC Name: 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
    SMILES: CC1=CC(=CC=C1)NC(=O)NC2=CN(N=C2)C3=CC=CC(=C3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC
    InChIKey: MTFAYLZZDJGFGV-UHFFFAOYSA-N
    InChI: InChI=1S/C27H27N5O5/c1-17-7-5-9-19(11-17)30-27(34)31-21-15-28-32(16-21)22-10-6-8-18(12-22)26(33)29-20-13-23(35-2)25(37-4)24(14-20)36-3/h5-16H,1-4H3,(H,29,33)(H2,30,31,34)
  5. 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
  6. CC-930
    CAS号 : 899805-25-5        Compound CID : 11597537
    分子式: C21H23F3N6O2        分子量: 448.44
    IUPAC Name: 4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
    SMILES: C1CC(CCC1NC2=NC=C3C(=N2)N(C(=N3)NC4=C(C=C(C=C4F)F)F)C5CCOC5)O
    InChIKey: IBGLGMOPHJQDJB-MOKVOYLWSA-N
    InChI: InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m0/s1
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