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canSAR1100104
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NAMES
    SMILES
    Cn1c(=O)c2c(nc(-c3ccccc3Cl)n2C(=O)OC(C)(C)C)c2ccc(Br)cc21
    InChI
    InChI=1S/C22H19BrClN3O3/c1-22(2,3)30-21(29)27-18-17(25-19(27)13-7-5-6-8-15(13)24)14-10-9-12(23)11-16(14)26(4)20(18)28/h5-11H,1-4H3
    MOLECULAR FORMULA
    C22H19BrClN3O3
    CROSS REFERENCES
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    canSAR1100104

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 487.03
    AlogP 5.75
    HBond donors 0
    HBond acceptors 6
    Atoms 49
    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 canSAR1100104.