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canSAR501433
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NAMES
    SMILES
    N=C(NCc1ccc(Br)cc1)SCCCc1c[nH]cn1
    InChI
    InChI=1S/C14H17BrN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
    MOLECULAR FORMULA
    C14H17BrN4S
    CROSS REFERENCES
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    canSAR501433

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 352.04
    AlogP 3.56
    HBond donors 3
    HBond acceptors 4
    Atoms 37
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR501433.