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canSAR2086511
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H]1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)C1
    InChI
    InChI=1S/C26H29FN6O3/c1-17(34)29-19-8-10-32(15-19)20-5-3-18(4-6-20)24-16-33(11-12-36-24)26-30-23(13-25(35)31(26)2)21-7-9-28-14-22(21)27/h3-7,9,13-14,19,24H,8,10-12,15-16H2,1-2H3,(H,29,34)/t19-,24+/m0/s1
    MOLECULAR FORMULA
    C26H29FN6O3
    CROSS REFERENCES
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    canSAR2086511

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.23
    AlogP 2.27
    HBond donors 1
    HBond acceptors 9
    Atoms 65
    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 canSAR2086511.