小分子和化合物库

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  1. (S)-AMPA
      规格或纯度 :
    • ≥98%
    CAS号 : 83643-88-3       
    分子式: C7H10N2O4        分子量: 186.17
    IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
    SMILES: CC1=C(C(=O)NO1)CC(C(=O)O)N
    InChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-N
    InChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
  2. PF 06273340,Pan-Trk抑制剂
    CAS号 : 1402438-74-7        Compound CID : 66571548
    分子式: C23H22ClN7O3        分子量: 479.93
    IUPAC Name: N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl]-2-(5-chloropyridin-2-yl)acetamide
    SMILES: CC(C)(CO)N1C=C(C2=CN=C(N=C21)N)C(=O)C3=CC(=CN=C3)NC(=O)CC4=NC=C(C=C4)Cl
    InChIKey: BPIWZDNVMQQBQX-UHFFFAOYSA-N
    InChI: InChI=1S/C23H22ClN7O3/c1-23(2,12-32)31-11-18(17-10-28-22(25)30-21(17)31)20(34)13-5-16(9-26-7-13)29-19(33)6-15-4-3-14(24)8-27-15/h3-5,7-11,32H,6,12H2,1-2H3,(H,29,33)(H2,25,28,30)
  3. Altiratinib
    CAS号 : 1345847-93-9        Compound CID : 54576299
    分子式: C26H21F3N4O4        分子量: 510.46
    IUPAC Name: 1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
    SMILES: C1CC1C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C(=C3)F)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F
    InChIKey: GNNDEPIMDAZHRQ-UHFFFAOYSA-N
    InChI: InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
  4. Ampalex
    CAS号 : 154235-83-3        Compound CID : 148184
    分子式: C14H15N3O        分子量: 241.29
    IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanone
    SMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2
    InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-N
    InChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
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