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canSAR1441748
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NAMES
    SMILES
    Cc1ccc(CNC(=O)CSc2ncc(C(=O)Nc3ccccc3)c(=O)n2C)cc1
    InChI
    InChI=1S/C22H22N4O3S/c1-15-8-10-16(11-9-15)12-23-19(27)14-30-22-24-13-18(21(29)26(22)2)20(28)25-17-6-4-3-5-7-17/h3-11,13H,12,14H2,1-2H3,(H,23,27)(H,25,28)
    MOLECULAR FORMULA
    C22H22N4O3S
    CROSS REFERENCES
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    canSAR1441748

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.14
    AlogP 2.75
    HBond donors 2
    HBond acceptors 7
    Atoms 52
    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 canSAR1441748.