canSAR2167050
FEATURES
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NAMES
    SMILES
    COc1cc(N2CCC(N3CCN(CCS(C)(=O)=O)CC3)CC2)c(C)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
    InChI
    InChI=1S/C44H47F2N9O4S/c1-29-26-36(38(59-2)28-37(29)54-18-14-32(15-19-54)53-22-20-52(21-23-53)24-25-60(3,57)58)49-44-47-16-13-35(48-44)42-40(50-39-12-4-5-17-55(39)42)30-8-6-9-31(27-30)43(56)51-41-33(45)10-7-11-34(41)46/h4-13,16-17,26-28,32H,14-15,18-25H2,1-3H3,(H,51,56)(H,47,48,49)
    MOLECULAR FORMULA
    C44H47F2N9O4S
    CROSS REFERENCES
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    canSAR2167050
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight835.34
    AlogP6.68
    HBond donors2
    HBond acceptors13
    Atoms107
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2167050.