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canSAR1650080
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCN2CCOCC2)cc(OC)c1OC
    InChI
    InChI=1S/C28H34N4O6/c1-31-18-20(21-7-5-6-8-23(21)31)15-22(28(34)29-9-10-32-11-13-38-14-12-32)30-27(33)19-16-24(35-2)26(37-4)25(17-19)36-3/h5-8,15-18H,9-14H2,1-4H3,(H,29,34)(H,30,33)/b22-15-
    MOLECULAR FORMULA
    C28H34N4O6
    CROSS REFERENCES
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    canSAR1650080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.25
    AlogP 2.42
    HBond donors 2
    HBond acceptors 10
    Atoms 72
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1650080.