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canSAR1431490
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NAMES
    SMILES
    COc1cc(C(=O)OC(C)OC(=O)NCC(=O)OCc2ccccc2)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
    InChI
    InChI=1S/C43H42Cl2F2N4O8/c1-24(59-41(55)49-21-35(52)57-22-25-10-7-6-8-11-25)58-40(54)26-14-17-32(33(18-26)56-5)50-39(53)38-36(28-12-9-13-30(45)37(28)47)43(23-48,34(51-38)20-42(2,3)4)29-16-15-27(44)19-31(29)46/h6-19,24,34,36,38,51H,20-22H2,1-5H3,(H,49,55)(H,50,53)/t24?,34-,36-,38+,43-/m0/s1
    MOLECULAR FORMULA
    C43H42Cl2F2N4O8
    CROSS REFERENCES
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    canSAR1431490

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 850.23
    AlogP 8.21
    HBond donors 3
    HBond acceptors 12
    Atoms 101
    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 canSAR1431490.