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canSAR830039
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NAMES
    SMILES
    CCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2CCOC)ccn1
    InChI
    InChI=1S/C21H23FN4O2S/c1-4-18(27)24-17-13-15(9-10-23-17)20-19(14-5-7-16(22)8-6-14)25-21(29-3)26(20)11-12-28-2/h5-10,13H,4,11-12H2,1-3H3,(H,23,24,27)
    MOLECULAR FORMULA
    C21H23FN4O2S
    CROSS REFERENCES
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    canSAR830039

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.15
    AlogP 4.47
    HBond donors 1
    HBond acceptors 6
    Atoms 52
    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 canSAR830039.