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canSAR645493
FEATURES
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NAMES
    SMILES
    CN(C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1.O=C(O)/C=C\C(=O)O
    InChI
    InChI=1S/C19H19Cl2N3S.C4H4O4/c1-24(2)9-10-25-18-12-22-19(14-5-3-4-6-16(14)21)15-11-13(20)7-8-17(15)23-18;5-3(6)1-2-4(7)8/h3-8,11H,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
    MOLECULAR FORMULA
    C23H23Cl2N3O4S
    CROSS REFERENCES
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    canSAR645493

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.08
    AlogP 4.88
    HBond donors 2
    HBond acceptors 7
    Atoms 56
    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 canSAR645493.