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canSAR791886
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NAMES
    SMILES
    CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(Cl)cc1
    InChI
    InChI=1S/C20H17ClN4O2S/c1-3-16(26)25-15-7-5-4-6-14(15)17-18(22-20(28-2)24-23-17)27-19(25)12-8-10-13(21)11-9-12/h4-11,19H,3H2,1-2H3/t19-/m0/s1
    MOLECULAR FORMULA
    C20H17ClN4O2S
    CROSS REFERENCES
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    canSAR791886

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.08
    AlogP 4.75
    HBond donors 0
    HBond acceptors 6
    Atoms 45
    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 canSAR791886.