canSAR1711552
FEATURES
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NAMES
    SMILES
    C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
    InChI
    InChI=1S/C38H41F3N4O4/c1-25-21-45(26(2)24-46)36(47)20-30-19-33(43-37(48)42-32-15-13-31(14-16-32)38(39,40)41)17-18-34(30)49-35(25)23-44(3)22-27-9-11-29(12-10-27)28-7-5-4-6-8-28/h4-19,25-26,35,46H,20-24H2,1-3H3,(H2,42,43,48)/t25-,26-,35+/m0/s1
    MOLECULAR FORMULA
    C38H41F3N4O4
    CROSS REFERENCES
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    canSAR1711552
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight674.31
    AlogP7.30
    HBond donors3
    HBond acceptors8
    Atoms90
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1711552.