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canSAR16184
FEATURES
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NAMES
    SMILES
    O=C(NC1c2ccccc2C[C@H]1O)[C@H](OCc1ccc(F)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O
    InChI
    InChI=1S/C38H38F2N2O8/c39-25-13-9-21(10-14-25)19-49-35(37(47)41-31-27-7-3-1-5-23(27)17-29(31)43)33(45)34(46)36(50-20-22-11-15-26(40)16-12-22)38(48)42-32-28-8-4-2-6-24(28)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32?,33-,34-,35-,36-/m1/s1
    MOLECULAR FORMULA
    C38H38F2N2O8
    CROSS REFERENCES
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    canSAR16184

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 688.26
    AlogP 2.71
    HBond donors 6
    HBond acceptors 10
    Atoms 88
    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 canSAR16184.