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canSAR1829547
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)c1cn[nH]c1)c1ccc(OC2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1
    InChI
    InChI=1S/C25H27F2N5O3/c1-16(31-24(33)18-11-29-30-12-18)17-2-4-20(5-3-17)35-22-8-9-32(14-22)23-7-6-21(13-28-23)34-15-19-10-25(19,26)27/h2-7,11-13,16,19,22H,8-10,14-15H2,1H3,(H,29,30)(H,31,33)/t16-,19+,22?/m0/s1
    MOLECULAR FORMULA
    C25H27F2N5O3
    CROSS REFERENCES
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    canSAR1829547

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.21
    AlogP 3.99
    HBond donors 2
    HBond acceptors 8
    Atoms 62
    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 canSAR1829547.