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canSAR1490815
FEATURES
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NAMES
    SMILES
    Cc1c(CNC(=O)c2ccc(C(C)C)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C(C)C)cc1)CCC2.[Cl-]
    InChI
    InChI=1S/C32H39N3O2.ClH/c1-20(2)24-9-13-26(14-10-24)31(36)33-18-28-22(5)29(30-8-7-17-35(30)23(28)6)19-34-32(37)27-15-11-25(12-16-27)21(3)4;/h9-16,20-21H,7-8,17-19H2,1-6H3,(H-,33,34,36,37);1H
    MOLECULAR FORMULA
    C32H40ClN3O2
    CROSS REFERENCES
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    canSAR1490815

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.28
    AlogP 2.65
    HBond donors 2
    HBond acceptors 5
    Atoms 78
    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 canSAR1490815.