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canSAR558202
FEATURES
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NAMES
    SMILES
    O=C(O)C(=O)O.O[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
    InChI
    InChI=1S/C29H33F2NO2.C2H2O4/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-21-17-22-14-18-32(19-15-22)20-16-28(33)23-4-2-1-3-5-23;3-1(4)2(5)6/h1-13,22,28-29,33H,14-21H2;(H,3,4)(H,5,6)/t28-;/m0./s1
    MOLECULAR FORMULA
    C31H35F2NO6
    CROSS REFERENCES
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    canSAR558202

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.24
    AlogP 5.45
    HBond donors 3
    HBond acceptors 7
    Atoms 75
    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 canSAR558202.