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canSAR646831
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C2\S/C(=N\c3nc(C45CC6CC(CC(C6)C4)C5)cs3)NC2=O)cc(OC)c1O
    InChI
    InChI=1S/C25H27N3O4S2/c1-31-17-6-13(7-18(32-2)21(17)29)8-19-22(30)27-24(34-19)28-23-26-20(12-33-23)25-9-14-3-15(10-25)5-16(4-14)11-25/h6-8,12,14-16,29H,3-5,9-11H2,1-2H3,(H,26,27,28,30)/b19-8-
    MOLECULAR FORMULA
    C25H27N3O4S2
    CROSS REFERENCES
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    canSAR646831

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.14
    AlogP 5.23
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    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 canSAR646831.