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canSAR66150
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NAMES
    SMILES
    Nc1nc(SCc2ccccc2)nc2c1[nH]c(=O)c(=O)n2Cc1ccccc1
    InChI
    InChI=1S/C20H17N5O2S/c21-16-15-17(24-20(23-16)28-12-14-9-5-2-6-10-14)25(19(27)18(26)22-15)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,22,26)(H2,21,23,24)
    MOLECULAR FORMULA
    C20H17N5O2S
    CROSS REFERENCES
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    canSAR66150

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.11
    AlogP 2.40
    HBond donors 3
    HBond acceptors 7
    Atoms 45
    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 canSAR66150.