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canSAR1113750
FEATURES
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NAMES
    SMILES
    O=C(NCC1CCN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)CC1)c1c2n(c3ccccc13)CCCO2
    InChI
    InChI=1S/C32H33N7O2/c40-31(29-27-8-3-4-9-28(27)39-16-5-19-41-32(29)39)33-20-22-14-17-38(18-15-22)21-23-10-12-24(13-11-23)25-6-1-2-7-26(25)30-34-36-37-35-30/h1-4,6-13,22H,5,14-21H2,(H,33,40)(H,34,35,36,37)
    MOLECULAR FORMULA
    C32H33N7O2
    CROSS REFERENCES
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    canSAR1113750

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.27
    AlogP 4.91
    HBond donors 2
    HBond acceptors 9
    Atoms 74
    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 canSAR1113750.