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canSAR1145404
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NAMES
    SMILES
    O=C(O)c1cccc(-c2ccc3c(c2)C(=NNc2nc4ccccc4s2)CCN3)n1
    InChI
    InChI=1S/C22H17N5O2S/c28-21(29)19-6-3-5-15(24-19)13-8-9-16-14(12-13)17(10-11-23-16)26-27-22-25-18-4-1-2-7-20(18)30-22/h1-9,12,23H,10-11H2,(H,25,27)(H,28,29)
    MOLECULAR FORMULA
    C22H17N5O2S
    CROSS REFERENCES
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    canSAR1145404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 415.11
    AlogP 4.69
    HBond donors 3
    HBond acceptors 7
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1145404.