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canSAR1617249
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NAMES
    SMILES
    O=C(CSc1nnc(Cc2cc(O)nc(O)n2)n1-c1ccc(F)cc1)N1CCCCC1
    InChI
    InChI=1S/C20H21FN6O3S/c21-13-4-6-15(7-5-13)27-16(10-14-11-17(28)23-19(30)22-14)24-25-20(27)31-12-18(29)26-8-2-1-3-9-26/h4-7,11H,1-3,8-10,12H2,(H2,22,23,28,30)
    MOLECULAR FORMULA
    C20H21FN6O3S
    CROSS REFERENCES
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    canSAR1617249

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.14
    AlogP 2.30
    HBond donors 2
    HBond acceptors 9
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1617249.