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canSAR645324
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NAMES
    SMILES
    Clc1ccc(Cl)c(Nc2ccnc(SCc3ccccc3)n2)c1
    InChI
    InChI=1S/C17H13Cl2N3S/c18-13-6-7-14(19)15(10-13)21-16-8-9-20-17(22-16)23-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21,22)
    MOLECULAR FORMULA
    C17H13Cl2N3S
    CROSS REFERENCES
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    canSAR645324

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.02
    AlogP 5.82
    HBond donors 1
    HBond acceptors 3
    Atoms 36
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR645324.