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canSAR2093083
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NAMES
    SMILES
    COc1ccc2cc(C3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)c(Cl)nc2c1
    InChI
    InChI=1S/C27H22ClN3O4/c1-27(2)12-20-22(21(32)13-27)23(18-10-14-8-9-15(35-3)11-19(14)29-24(18)28)31-26(34)17-7-5-4-6-16(17)25(33)30(20)31/h4-11,23H,12-13H2,1-3H3
    MOLECULAR FORMULA
    C27H22ClN3O4
    CROSS REFERENCES
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    canSAR2093083

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 487.13
    AlogP 4.58
    HBond donors 0
    HBond acceptors 7
    Atoms 57
    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 canSAR2093083.