化学生物学

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  1. Traxoprodil (CP101,606),NMDA 拮抗剂
    CAS号 : 134234-12-1        Compound CID : 219101
    分子式: C20H25NO3        分子量: 327.42
    IUPAC Name: 1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol
    SMILES: CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)O
    InChIKey: QEMSVZNTSXPFJA-HNAYVOBHSA-N
    InChI: InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
  2. 依拉嗪,Eleclazine
    CAS号 : 1443211-72-0        Compound CID : 71183216
    分子式: C21H16F3N3O3        分子量: 415.372
    IUPAC Name: 4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
    SMILES: C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)N1CC4=NC=CC=N4
    InChIKey: YNUAEEJQYHYLMS-UHFFFAOYSA-N
    InChI: InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2
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