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canSAR1833701
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NAMES
    SMILES
    COc1ccc2nc(N=C(N)N=C(S)Nc3c(C)cccc3C)nc(C)c2c1
    InChI
    InChI=1S/C20H22N6OS/c1-11-6-5-7-12(2)17(11)24-20(28)26-18(21)25-19-22-13(3)15-10-14(27-4)8-9-16(15)23-19/h5-10H,1-4H3,(H4,21,22,23,24,25,26,28)
    MOLECULAR FORMULA
    C20H22N6OS
    CROSS REFERENCES
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    canSAR1833701

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.16
    AlogP 3.91
    HBond donors 3
    HBond acceptors 7
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1833701.