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canSAR654114
FEATURES
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NAMES
    SMILES
    CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(C(=O)C(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
    InChI
    InChI=1S/C35H37ClN2O5/c1-21(2)33(40)32-28-17-27(43-20-26-16-24-8-6-7-9-29(24)38(26)22(3)39)14-15-30(28)37(19-23-10-12-25(36)13-11-23)31(32)18-35(4,5)34(41)42/h6-15,17,21,26H,16,18-20H2,1-5H3,(H,41,42)/t26-/m0/s1
    MOLECULAR FORMULA
    C35H37ClN2O5
    CROSS REFERENCES
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    canSAR654114

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 600.24
    AlogP 7.19
    HBond donors 1
    HBond acceptors 7
    Atoms 80
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR654114.