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canSAR1638752
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NAMES
    SMILES
    CCN(CC)CCn1c(=S)[nH]c2ccc(Br)cc2c1=O
    InChI
    InChI=1S/C14H18BrN3OS/c1-3-17(4-2)7-8-18-13(19)11-9-10(15)5-6-12(11)16-14(18)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20)
    MOLECULAR FORMULA
    C14H18BrN3OS
    CROSS REFERENCES
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    canSAR1638752

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 355.04
    AlogP 3.16
    HBond donors 1
    HBond acceptors 4
    Atoms 38
    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 canSAR1638752.