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canSAR988949
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NAMES
    SMILES
    CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)c(Br)c1
    InChI
    InChI=1S/C19H18BrN3O2S/c1-19(2,17(25)22-18-23-21-11-26-18)16(12-6-4-3-5-7-12)13-8-9-15(24)14(20)10-13/h3-11,16,24H,1-2H3,(H,22,23,25)/t16-/m0/s1
    MOLECULAR FORMULA
    C19H18BrN3O2S
    CROSS REFERENCES
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    canSAR988949

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.03
    AlogP 4.80
    HBond donors 2
    HBond acceptors 5
    Atoms 44
    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 canSAR988949.