canSAR539539
FEATURES
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NAMES
    SMILES
    CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O
    InChI
    InChI=1S/C42H52N4O4/c1-42(2,28-44-40(49)34-22-13-18-31-19-14-23-35(37(31)34)41(44)50)29-46(5,6)26-10-8-7-9-25-45(3,4)27-15-24-43-38(47)32-20-11-16-30-17-12-21-33(36(30)32)39(43)48/h11-14,16-23H,7-10,15,24-29H2,1-6H3/q+2
    MOLECULAR FORMULA
    C42H52N4O4+2
    CROSS REFERENCES
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    canSAR539539
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight676.40
    AlogP7.01
    HBond donors0
    HBond acceptors8
    Atoms102
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR539539.