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canSAR1088426
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NAMES
    SMILES
    O=C(CNC(=S)Nc1ccc(Cl)cc1)N1CCC(c2noc3cc(F)ccc23)CC1
    InChI
    InChI=1S/C21H20ClFN4O2S/c22-14-1-4-16(5-2-14)25-21(30)24-12-19(28)27-9-7-13(8-10-27)20-17-6-3-15(23)11-18(17)29-26-20/h1-6,11,13H,7-10,12H2,(H2,24,25,30)
    MOLECULAR FORMULA
    C21H20ClFN4O2S
    CROSS REFERENCES
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    canSAR1088426

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.10
    AlogP 4.31
    HBond donors 2
    HBond acceptors 6
    Atoms 50
    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 canSAR1088426.