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canSAR351408
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NAMES
    SMILES
    CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(OCC3CCCCO3)c2)[nH]1
    InChI
    InChI=1S/C21H22FN3O2S/c1-28-21-24-19(14-5-7-16(22)8-6-14)20(25-21)15-9-10-23-18(12-15)27-13-17-4-2-3-11-26-17/h5-10,12,17H,2-4,11,13H2,1H3,(H,24,25)
    MOLECULAR FORMULA
    C21H22FN3O2S
    CROSS REFERENCES
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    canSAR351408

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.14
    AlogP 4.95
    HBond donors 1
    HBond acceptors 5
    Atoms 50
    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 canSAR351408.