canSAR163212
FEATURES
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NAMES
    SMILES
    O=C(NCC(F)(F)F)[C@@H]1CN(Cc2cc3cccc(Cl)c3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O
    InChI
    InChI=1S/C36H39ClF3N5O6/c37-28-6-3-4-23-16-26(51-33(23)28)18-44-12-13-45(29(19-44)35(49)42-21-36(38,39)40)17-25(46)15-24(14-22-8-10-41-11-9-22)34(48)43-32-27-5-1-2-7-31(27)50-20-30(32)47/h1-11,16,24-25,29-30,32,46-47H,12-15,17-21H2,(H,42,49)(H,43,48)/t24-,25+,29+,30-,32+/m1/s1
    MOLECULAR FORMULA
    C36H39ClF3N5O6
    CROSS REFERENCES
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    canSAR163212
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight729.25
    AlogP3.87
    HBond donors4
    HBond acceptors11
    Atoms90
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR163212.