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canSAR1087093
FEATURES
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NAMES
    SMILES
    CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])C1OCCN(CCO)CCO
    InChI
    InChI=1S/C30H34N2O4/c1-30(2)20-25(32(35)29(30)36-19-16-31(14-17-33)15-18-34)12-10-21-6-7-24-9-8-22-4-3-5-23-11-13-26(21)28(24)27(22)23/h3-13,29,33-34H,14-20H2,1-2H3/b12-10+
    MOLECULAR FORMULA
    C30H34N2O4
    CROSS REFERENCES
    1087093 logo

    canSAR1087093

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.25
    AlogP 4.61
    HBond donors 2
    HBond acceptors 6
    Atoms 70
    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 canSAR1087093.