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canSAR348473
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NAMES
    SMILES
    CC(=O)NC(C)C#Cc1cnc(Oc2ccc(OCC(C)C)cc2Br)s1
    InChI
    InChI=1S/C19H21BrN2O3S/c1-12(2)11-24-15-6-8-18(17(20)9-15)25-19-21-10-16(26-19)7-5-13(3)22-14(4)23/h6,8-10,12-13H,11H2,1-4H3,(H,22,23)
    MOLECULAR FORMULA
    C19H21BrN2O3S
    CROSS REFERENCES
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    canSAR348473

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.05
    AlogP 4.61
    HBond donors 1
    HBond acceptors 5
    Atoms 47
    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 canSAR348473.