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canSAR560223
FEATURES
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NAMES
    SMILES
    CN(C)C(C)(C)CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21.O=C(O)[C@H](O)[C@@H](O)C(=O)O
    InChI
    InChI=1S/C38H37F5N4O2.C4H6O6/c1-37(2,45(3)4)24-46(22-25-12-14-26(15-13-25)27-16-19-29(20-17-27)38(41,42)43)34(48)23-47-32-11-6-5-9-30(32)36(49)44-33(47)21-18-28-8-7-10-31(39)35(28)40;5-1(3(7)8)2(6)4(9)10/h5-17,19-20H,18,21-24H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
    MOLECULAR FORMULA
    C42H43F5N4O8
    CROSS REFERENCES
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    canSAR560223

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 826.30
    AlogP 5.39
    HBond donors 4
    HBond acceptors 12
    Atoms 102
    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 canSAR560223.