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canSAR668660
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)ccc1OCC(=O)O
    InChI
    InChI=1S/C27H24N2O5S/c1-17-8-4-6-10-20(17)28-27-29(21-11-7-5-9-18(21)2)26(32)24(35-27)15-19-12-13-22(23(14-19)33-3)34-16-25(30)31/h4-15H,16H2,1-3H3,(H,30,31)/b24-15-,28-27-
    MOLECULAR FORMULA
    C27H24N2O5S
    CROSS REFERENCES
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    canSAR668660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.14
    AlogP 5.58
    HBond donors 1
    HBond acceptors 7
    Atoms 59
    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 canSAR668660.