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canSAR464040
FEATURES
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NAMES
    SMILES
    O=C(CC1CN(Cc2cccc3ccccc23)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2
    InChI
    InChI=1S/C32H31N7O3/c40-31(35-18-23-8-9-28-29(16-23)42-22-41-28)17-26-20-37(19-25-6-3-5-24-4-1-2-7-27(24)25)14-15-39(26)30-10-11-34-32(36-30)38-13-12-33-21-38/h1-13,16,21,26H,14-15,17-20,22H2,(H,35,40)
    MOLECULAR FORMULA
    C32H31N7O3
    CROSS REFERENCES
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    canSAR464040

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.25
    AlogP 3.94
    HBond donors 1
    HBond acceptors 10
    Atoms 73
    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 canSAR464040.