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canSAR1999351
FEATURES
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NAMES
    SMILES
    COc1ccc(N2CCN(CC(O)COC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.O=C(O)C(=O)O
    InChI
    InChI=1S/C27H30F2N2O3.C2H2O4/c1-33-26-12-10-24(11-13-26)31-16-14-30(15-17-31)18-25(32)19-34-27(20-2-6-22(28)7-3-20)21-4-8-23(29)9-5-21;3-1(4)2(5)6/h2-13,25,27,32H,14-19H2,1H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C29H32F2N2O7
    CROSS REFERENCES
    1999351 logo

    canSAR1999351

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.22
    AlogP 3.42
    HBond donors 3
    HBond acceptors 9
    Atoms 72
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1999351.