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canSAR115311
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NAMES
    SMILES
    COc1ccccc1C1SCC(=O)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1
    InChI
    InChI=1S/C22H17N7O2S3/c1-31-15-9-5-3-7-13(15)20-29(17(30)11-32-20)22-28-25-16(33-22)10-23-21-27-26-18-12-6-2-4-8-14(12)24-19(18)34-21/h2-9,20H,10-11H2,1H3,(H,23,27)
    MOLECULAR FORMULA
    C22H17N7O2S3
    CROSS REFERENCES
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    canSAR115311

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.06
    AlogP 4.44
    HBond donors 1
    HBond acceptors 9
    Atoms 51
    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 canSAR115311.