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canSAR49866
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NAMES
    SMILES
    COc1ccc(Nc2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1
    InChI
    InChI=1S/C21H22N6O3S/c1-21(2)11-13-18(19(28)24-21)31-20(23-13)27-8-9-30-15-5-4-12(10-14(15)27)22-16-6-7-17(29-3)26-25-16/h4-7,10H,8-9,11H2,1-3H3,(H,22,25)(H,24,28)
    MOLECULAR FORMULA
    C21H22N6O3S
    CROSS REFERENCES
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    canSAR49866

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.15
    AlogP 3.28
    HBond donors 2
    HBond acceptors 9
    Atoms 53
    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 canSAR49866.