canSAR2095926
FEATURES
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NAMES
    SMILES
    Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccccc2C(F)(F)F)on1.O=C(O)CC(O)(CC(=O)O)C(=O)O
    InChI
    InChI=1S/C18H21F3N2O.C6H8O7/c1-12-9-15(24-23-12)10-13-6-4-8-17(13)22-11-14-5-2-3-7-16(14)18(19,20)21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,5,7,9,13,17,22H,4,6,8,10-11H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t13-,17+;/m0./s1
    MOLECULAR FORMULA
    C24H29F3N2O8
    CROSS REFERENCES
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    canSAR2095926
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight530.19
    AlogP3.25
    HBond donors5
    HBond acceptors10
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095926.