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canSAR1102246
FEATURES
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NAMES
    SMILES
    O=C(Nc1cccc(Nc2nc3ccccc3[nH]2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
    InChI
    InChI=1S/C35H38N6O2/c42-35(37-30-15-9-14-29(26-30)36-34-38-32-16-7-8-17-33(32)39-34)41(21-20-40-22-24-43-25-23-40)19-18-31(27-10-3-1-4-11-27)28-12-5-2-6-13-28/h1-17,26,31H,18-25H2,(H,37,42)(H2,36,38,39)
    MOLECULAR FORMULA
    C35H38N6O2
    CROSS REFERENCES
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    canSAR1102246

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 574.31
    AlogP 6.69
    HBond donors 3
    HBond acceptors 8
    Atoms 81
    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 canSAR1102246.