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canSAR2015324
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)c1cnn(CC(F)F)c1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1
    InChI
    InChI=1S/C28H32F2N4O3/c1-19(32-28(35)22-14-31-34(15-22)17-27(29)30)21-4-8-25(9-5-21)37-26-12-13-33(16-26)23-6-10-24(11-7-23)36-18-20-2-3-20/h4-11,14-15,19-20,26-27H,2-3,12-13,16-18H2,1H3,(H,32,35)/t19-,26+/m0/s1
    MOLECULAR FORMULA
    C28H32F2N4O3
    CROSS REFERENCES
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    canSAR2015324

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.24
    AlogP 5.09
    HBond donors 1
    HBond acceptors 7
    Atoms 69
    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 canSAR2015324.