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canSAR186215
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NAMES
    SMILES
    CCCCN(CC#N)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C)n1
    InChI
    InChI=1S/C21H31N7/c1-7-9-13-27(14-12-22)20-23-17(4)24-21(25-20)28(8-2)19-11-10-18(26(5)6)15-16(19)3/h10-11,15H,7-9,13-14H2,1-6H3
    MOLECULAR FORMULA
    C21H31N7
    CROSS REFERENCES
    186215 logo

    canSAR186215

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.26
    AlogP 3.84
    HBond donors 0
    HBond acceptors 7
    Atoms 59
    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 canSAR186215.