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canSAR1650632
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NAMES
    SMILES
    COc1ccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SCC(=O)N2CCCC2)cc1
    InChI
    InChI=1S/C20H22N6O4S/c1-30-15-6-4-14(5-7-15)26-16(10-13-11-17(27)22-19(29)21-13)23-24-20(26)31-12-18(28)25-8-2-3-9-25/h4-7,11H,2-3,8-10,12H2,1H3,(H2,21,22,27,29)
    MOLECULAR FORMULA
    C20H22N6O4S
    CROSS REFERENCES
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    canSAR1650632

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.14
    AlogP 1.78
    HBond donors 2
    HBond acceptors 10
    Atoms 53
    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 canSAR1650632.