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canSAR2204612
FEATURES
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NAMES
    SMILES
    COc1ncc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1C
    InChI
    InChI=1S/C31H35FN2O3/c1-21-17-24(19-33-31(21)36-2)28-6-3-5-23-18-25(35)9-12-29(23)30(28)22-7-10-26(11-8-22)37-27-13-16-34(20-27)15-4-14-32/h7-12,17-19,27,35H,3-6,13-16,20H2,1-2H3/t27-/m0/s1
    MOLECULAR FORMULA
    C31H35FN2O3
    CROSS REFERENCES
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    canSAR2204612

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.26
    AlogP 6.21
    HBond donors 1
    HBond acceptors 5
    Atoms 72
    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 canSAR2204612.