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canSAR548099
FEATURES
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NAMES
    SMILES
    CC(=O)CCC[N+](C)(C)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C[N+](C)(C)CCCC(C)=O)cc3)cc2)cc1
    InChI
    InChI=1S/C36H46N2O4/c1-27(39)9-7-23-37(3,4)25-35(41)33-19-15-31(16-20-33)29-11-13-30(14-12-29)32-17-21-34(22-18-32)36(42)26-38(5,6)24-8-10-28(2)40/h11-22H,7-10,23-26H2,1-6H3/q+2
    MOLECULAR FORMULA
    C36H46N2O4+2
    CROSS REFERENCES
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    canSAR548099

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 570.34
    AlogP 6.28
    HBond donors 0
    HBond acceptors 6
    Atoms 88
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR548099.