canSAR2145835
FEATURES
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NAMES
    SMILES
    Cc1ccc(N=C(O)c2cc(C3(O)CNC3)cc(S(F)(F)(F)(F)F)c2)cc1-n1ccn2nc(-c3cccnc3)cc12
    InChI
    InChI=1S/C27H23F5N6O2S/c1-17-4-5-21(12-24(17)37-7-8-38-25(37)13-23(36-38)18-3-2-6-33-14-18)35-26(39)19-9-20(27(40)15-34-16-27)11-22(10-19)41(28,29,30,31)32/h2-14,34,40H,15-16H2,1H3,(H,35,39)
    MOLECULAR FORMULA
    C27H23F5N6O2S
    CROSS REFERENCES
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    canSAR2145835
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight590.15
    AlogP6.58
    HBond donors3
    HBond acceptors8
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2145835.