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canSAR1965490
FEATURES
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NAMES
    SMILES
    COc1cc(CN2CCC(C(=O)NC(C)(C)C)CC2)ccc1OCc1ccccc1.O=C(O)C(=O)O
    InChI
    InChI=1S/C25H34N2O3.C2H2O4/c1-25(2,3)26-24(28)21-12-14-27(15-13-21)17-20-10-11-22(23(16-20)29-4)30-18-19-8-6-5-7-9-19;3-1(4)2(5)6/h5-11,16,21H,12-15,17-18H2,1-4H3,(H,26,28);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C27H36N2O7
    CROSS REFERENCES
    1965490 logo

    canSAR1965490

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.25
    AlogP 3.56
    HBond donors 3
    HBond acceptors 9
    Atoms 72
    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 canSAR1965490.