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canSAR466765
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NAMES
    SMILES
    N=C(N)c1ccc(NC(=O)c2ccc3c(c2)NC(CC(=O)O)CN(CCc2ccccc2)C3)cc1
    InChI
    InChI=1S/C27H29N5O3/c28-26(29)19-8-10-22(11-9-19)31-27(35)20-6-7-21-16-32(13-12-18-4-2-1-3-5-18)17-23(15-25(33)34)30-24(21)14-20/h1-11,14,23,30H,12-13,15-17H2,(H3,28,29)(H,31,35)(H,33,34)
    MOLECULAR FORMULA
    C27H29N5O3
    CROSS REFERENCES
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    canSAR466765

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.23
    AlogP 3.54
    HBond donors 6
    HBond acceptors 8
    Atoms 64
    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 canSAR466765.