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canSAR558218
FEATURES
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NAMES
    SMILES
    CC(C)N1CCC(N(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
    InChI
    InChI=1S/C40H40ClF2N3O2.C4H6O6/c1-27(2)44-22-20-33(21-23-44)46(25-28-10-12-29(13-11-28)30-14-17-32(41)18-15-30)39(48)26-45-34(19-16-31-6-5-8-36(42)40(31)43)24-38(47)35-7-3-4-9-37(35)45;5-1(3(7)8)2(6)4(9)10/h3-15,17-18,24,27,33H,16,19-23,25-26H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
    MOLECULAR FORMULA
    C44H46ClF2N3O8
    CROSS REFERENCES
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    canSAR558218

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 817.29
    AlogP 6.16
    HBond donors 4
    HBond acceptors 11
    Atoms 104
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR558218.