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canSAR548753
FEATURES
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NAMES
    SMILES
    COc1ccccc1N1CCN(CCCCN2C(=O)C=C(c3ccccc3)C2=O)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C25H29N3O3.C2H2O4/c1-31-23-12-6-5-11-22(23)27-17-15-26(16-18-27)13-7-8-14-28-24(29)19-21(25(28)30)20-9-3-2-4-10-20;3-1(4)2(5)6/h2-6,9-12,19H,7-8,13-18H2,1H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C27H31N3O7
    CROSS REFERENCES
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    canSAR548753

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 509.22
    AlogP 2.21
    HBond donors 2
    HBond acceptors 10
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR548753.