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canSAR1132772
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NAMES
    SMILES
    Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3nnc(S)n3C)cc2)cc1
    InChI
    InChI=1S/C24H27N7OS/c1-15-6-12-18(13-7-15)31-20(14-19(29-31)24(2,3)4)26-22(32)25-17-10-8-16(9-11-17)21-27-28-23(33)30(21)5/h6-14H,1-5H3,(H,28,33)(H2,25,26,32)
    MOLECULAR FORMULA
    C24H27N7OS
    CROSS REFERENCES
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    canSAR1132772

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.20
    AlogP 5.21
    HBond donors 2
    HBond acceptors 8
    Atoms 60
    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 canSAR1132772.