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canSAR1971425
FEATURES
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NAMES
    SMILES
    C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CC3)C23CN(C(=O)c2ccc4c(c2)OCO4)C3)cc1
    InChI
    InChI=1S/C27H30N2O4/c1-2-3-18-6-8-20(9-7-18)25-22(14-30)29(13-19-4-5-19)27(25)15-28(16-27)26(31)21-10-11-23-24(12-21)33-17-32-23/h2-3,6-12,19,22,25,30H,4-5,13-17H2,1H3/b3-2+/t22-,25+/m0/s1
    MOLECULAR FORMULA
    C27H30N2O4
    CROSS REFERENCES
    1971425 logo

    canSAR1971425

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.22
    AlogP 3.51
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR1971425.