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canSAR1062616
FEATURES
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NAMES
    SMILES
    O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OCC2C1CC1
    InChI
    InChI=1S/C21H24N2O3/c24-20-15-7-4-8-18-19(15)23(17(12-26-18)13-9-10-13)11-16(20)21(25)22-14-5-2-1-3-6-14/h4,7-8,11,13-14,17H,1-3,5-6,9-10,12H2,(H,22,25)
    MOLECULAR FORMULA
    C21H24N2O3
    CROSS REFERENCES
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    canSAR1062616

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 352.18
    AlogP 3.41
    HBond donors 1
    HBond acceptors 5
    Atoms 50
    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 canSAR1062616.