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canSAR1116175
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NAMES
    SMILES
    CC(C)Cc1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1
    InChI
    InChI=1S/C23H22N4OS/c1-16(2)12-17-8-9-20(27-11-10-24-15-27)19(13-17)26-22(28)21-14-25-23(29-21)18-6-4-3-5-7-18/h3-11,13-16H,12H2,1-2H3,(H,26,28)
    MOLECULAR FORMULA
    C23H22N4OS
    CROSS REFERENCES
    1116175 logo

    canSAR1116175

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.15
    AlogP 5.45
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    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 canSAR1116175.