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canSAR564420
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NAMES
    SMILES
    CCCC(NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1)c1ccccc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C31H34N2O6.C2HF3O2/c1-3-7-25(20-8-5-4-6-9-20)32-28(34)18-33-17-24(22-12-15-26-27(16-22)39-19-38-26)29(31(35)36)30(33)21-10-13-23(37-2)14-11-21;3-2(4,5)1(6)7/h4-6,8-16,24-25,29-30H,3,7,17-19H2,1-2H3,(H,32,34)(H,35,36);(H,6,7)/t24-,25?,29-,30+;/m1./s1
    MOLECULAR FORMULA
    C33H35F3N2O8
    CROSS REFERENCES
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    canSAR564420

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 644.23
    AlogP 5.56
    HBond donors 3
    HBond acceptors 10
    Atoms 81
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR564420.