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canSAR1863957
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NAMES
    SMILES
    Cn1cc(N[S+](=O)([O-])c2c(Cl)cc(-c3ccnc(N4CCNCC4)c3)cc2Cl)cn1
    InChI
    InChI=1S/C19H20Cl2N6O2S/c1-26-12-15(11-24-26)25-30(28,29)19-16(20)8-14(9-17(19)21)13-2-3-23-18(10-13)27-6-4-22-5-7-27/h2-3,8-12,22H,4-7H2,1H3,(H-,25,28,29)
    MOLECULAR FORMULA
    C19H20Cl2N6O2S
    CROSS REFERENCES
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    canSAR1863957

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.07
    AlogP 3.21
    HBond donors 2
    HBond acceptors 8
    Atoms 50
    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 canSAR1863957.