小分子和化合物库

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  1. L-655,708,苯二氮卓类反向激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 130477-52-0        Compound CID : 5311203
    分子式: C18H19N3O4        分子量: 341.37
    IUPAC Name: ethyl (7S)-15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
    SMILES: CCOC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC(=C4)OC
    InChIKey: YKYOQIXTECBVBB-AWEZNQCLSA-N
    InChI: InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
  2. N~3~-Cyclopropyl-N~4~'-(Cyclopropylmethyl)-6-Methylbiphenyl-3,4'-Dicarboxamide
    CAS号 : 515134-70-0        Compound CID : 24856363
    分子式: C22H24N2O2        分子量: 348.4
    IUPAC Name: N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide
    SMILES: CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC=C(C=C3)C(=O)NCC4CC4
    InChIKey: BOPSUAHGQHFKGG-UHFFFAOYSA-N
    InChI: InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
  3. Saripidem
    CAS号 : 103844-86-6        Compound CID : 3058746
    分子式: C19H20ClN3O        分子量: 341.8
    IUPAC Name: N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide
    SMILES: CCCC(=O)N(C)CC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)Cl
    InChIKey: LIFDPEORUVTOCP-UHFFFAOYSA-N
    InChI: InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
  4. PH-797804,ATP竞争性p38α抑制剂
    CAS号 : 586379-66-0        Compound CID : 22049997
    分子式: C22H19BrF2N2O3        分子量: 477.3
    IUPAC Name: 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N,4-dimethylbenzamide
    SMILES: CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C
    InChIKey: KCAJXIDMCNPGHZ-UHFFFAOYSA-N
    InChI: InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
  5. SB-203580,p38 MAPK抑制剂
    CAS号 : 152121-47-6        Compound CID : 176155
    分子式: C21H16FN3OS        分子量: 377.43
    IUPAC Name: 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
    SMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F
    InChIKey: CDMGBJANTYXAIV-UHFFFAOYSA-N
    InChI: InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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