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canSAR1617743
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NAMES
    SMILES
    CC(=O)Nc1nonc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1-c1ccccc1
    InChI
    InChI=1S/C22H21N7O3S/c1-13-9-14(2)11-16(10-13)24-18(31)12-33-22-26-25-21(29(22)17-7-5-4-6-8-17)19-20(23-15(3)30)28-32-27-19/h4-11H,12H2,1-3H3,(H,24,31)(H,23,28,30)
    MOLECULAR FORMULA
    C22H21N7O3S
    CROSS REFERENCES
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    canSAR1617743

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.14
    AlogP 3.62
    HBond donors 2
    HBond acceptors 10
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1617743.