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canSAR2050162
FEATURES
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NAMES
    SMILES
    Cn1c(N2CCO[C@@H](c3ccc(N(CCO)C4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O
    InChI
    InChI=1S/C28H34FN5O3/c1-32-27(36)17-25(23-11-12-30-18-24(23)29)31-28(32)33-14-16-37-26(19-33)20-7-9-22(10-8-20)34(13-15-35)21-5-3-2-4-6-21/h7-12,17-18,21,26,35H,2-6,13-16,19H2,1H3/t26-/m1/s1
    MOLECULAR FORMULA
    C28H34FN5O3
    CROSS REFERENCES
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    canSAR2050162

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.26
    AlogP 3.69
    HBond donors 1
    HBond acceptors 8
    Atoms 71
    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 canSAR2050162.