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canSAR646457
FEATURES
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NAMES
    SMILES
    CN(C)CCNc1ccc(NCC[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1ccccc1C2=O.[Cl-]
    InChI
    InChI=1S/C29H33N5O4.ClH/c1-32(2)17-15-30-24-13-14-25(27-26(24)28(35)22-7-5-6-8-23(22)29(27)36)31-16-18-34(3,4)19-20-9-11-21(12-10-20)33(37)38;/h5-14H,15-19H2,1-4H3,(H-,30,31,35,36);1H
    MOLECULAR FORMULA
    C29H34ClN5O4
    CROSS REFERENCES
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    canSAR646457

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.23
    AlogP 1.04
    HBond donors 2
    HBond acceptors 9
    Atoms 73
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR646457.