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canSAR839960
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NAMES
    SMILES
    O[C@@H]1CS[C@@H](Cn2cnc3c(NCc4cccc(F)c4)ncnc32)[C@@H]1O
    InChI
    InChI=1S/C17H18FN5O2S/c18-11-3-1-2-10(4-11)5-19-16-14-17(21-8-20-16)23(9-22-14)6-13-15(25)12(24)7-26-13/h1-4,8-9,12-13,15,24-25H,5-7H2,(H,19,20,21)/t12-,13+,15-/m1/s1
    MOLECULAR FORMULA
    C17H18FN5O2S
    CROSS REFERENCES
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    canSAR839960

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 375.12
    AlogP 1.41
    HBond donors 3
    HBond acceptors 7
    Atoms 44
    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 canSAR839960.