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canSAR653505
FEATURES
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NAMES
    SMILES
    C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1C1CCc2ccccc21
    InChI
    InChI=1S/C29H33ClN4O3/c1-17-15-34(18(2)14-33(17)25-11-10-19-8-6-7-9-20(19)25)28(36)22-12-21-23(27(35)29(37)31(3)4)16-32(5)26(21)13-24(22)30/h6-9,12-13,16-18,25H,10-11,14-15H2,1-5H3/t17-,18+,25?/m0/s1
    MOLECULAR FORMULA
    C29H33ClN4O3
    CROSS REFERENCES
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    canSAR653505

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.22
    AlogP 4.32
    HBond donors 0
    HBond acceptors 7
    Atoms 70
    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 canSAR653505.