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canSAR1955533
FEATURES
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NAMES
    SMILES
    COc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2cccc3ccccc23)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C25H28N2O4.C2H2O4/c1-29-22-16-24(31-3)23(30-2)15-19(22)17-26-11-13-27(14-12-26)25(28)21-10-6-8-18-7-4-5-9-20(18)21;3-1(4)2(5)6/h4-10,15-16H,11-14,17H2,1-3H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C27H30N2O8
    CROSS REFERENCES
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    canSAR1955533

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.20
    AlogP 2.98
    HBond donors 2
    HBond acceptors 10
    Atoms 67
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1955533.