canSAR2098637
FEATURES
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NAMES
    SMILES
    O=C(/C=C/c1ccc(F)cc1Cl)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
    InChI
    InChI=1S/C27H20Cl2F2N4O3/c28-20-9-16(30)3-1-15(20)2-6-26(36)35-24-11-19-23(12-25(24)38-18-7-8-37-13-18)32-14-33-27(19)34-17-4-5-22(31)21(29)10-17/h1-6,9-12,14,18H,7-8,13H2,(H,35,36)(H,32,33,34)/b6-2+/t18-/m0/s1
    MOLECULAR FORMULA
    C27H20Cl2F2N4O3
    CROSS REFERENCES
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    canSAR2098637
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight556.09
    AlogP6.78
    HBond donors2
    HBond acceptors7
    Atoms58
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2098637.