canSAR2152410
FEATURES
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NAMES
    SMILES
    COc1cc(N2CCC(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
    InChI
    InChI=1S/C41H41F2N7O5S/c1-25-22-32(35(55-3)24-33(25)49-19-14-26(15-20-49)16-21-56(4,52)53)46-41-44-17-13-31(45-41)39-37(47-36-10-5-6-18-50(36)39)27-11-12-34(54-2)28(23-27)40(51)48-38-29(42)8-7-9-30(38)43/h5-13,17-18,22-24,26H,14-16,19-21H2,1-4H3,(H,48,51)(H,44,45,46)
    MOLECULAR FORMULA
    C41H41F2N7O5S
    CROSS REFERENCES
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    canSAR2152410
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight781.29
    AlogP7.71
    HBond donors2
    HBond acceptors12
    Atoms97
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2152410.