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canSAR2020492
FEATURES
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NAMES
    SMILES
    O=C(CN1CCSCC1)N1CCc2[nH]c3ccc(Br)cc3c2C1
    InChI
    InChI=1S/C17H20BrN3OS/c18-12-1-2-15-13(9-12)14-10-21(4-3-16(14)19-15)17(22)11-20-5-7-23-8-6-20/h1-2,9,19H,3-8,10-11H2
    MOLECULAR FORMULA
    C17H20BrN3OS
    CROSS REFERENCES
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    canSAR2020492

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.05
    AlogP 2.86
    HBond donors 1
    HBond acceptors 4
    Atoms 43
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2020492.