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canSAR1269239
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NAMES
    SMILES
    CO[C@H]1CN(c2nc(-c3cnccn3)c(C(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl
    InChI
    InChI=1S/C20H20Cl2N6O4S/c1-9-13(21)14(22)16(25-9)18(29)26-10-3-6-28(8-12(10)32-2)20-27-15(17(33-20)19(30)31)11-7-23-4-5-24-11/h4-5,7,10,12,25H,3,6,8H2,1-2H3,(H,26,29)(H,30,31)/t10-,12+/m1/s1
    MOLECULAR FORMULA
    C20H20Cl2N6O4S
    CROSS REFERENCES
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    canSAR1269239

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.06
    AlogP 3.27
    HBond donors 3
    HBond acceptors 10
    Atoms 53
    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 canSAR1269239.