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canSAR657789
FEATURES
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NAMES
    SMILES
    C=CCN1C(=O)S/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O
    InChI
    InChI=1S/C22H16ClN3O2S/c1-2-12-25-21(27)19(29-22(25)28)13-16-14-26(18-6-4-3-5-7-18)24-20(16)15-8-10-17(23)11-9-15/h2-11,13-14H,1,12H2/b19-13-
    MOLECULAR FORMULA
    C22H16ClN3O2S
    CROSS REFERENCES
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    canSAR657789

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.07
    AlogP 5.42
    HBond donors 0
    HBond acceptors 5
    Atoms 45
    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 canSAR657789.