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canSAR782123
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NAMES
    SMILES
    CC(C)N(CCN(C(=O)Nc1cccc(F)c1)C1CC[C@]2(c3cccc(C#N)c3)CC2C1)C(C)C
    InChI
    InChI=1S/C29H37FN4O/c1-20(2)33(21(3)4)13-14-34(28(35)32-26-10-6-9-25(30)17-26)27-11-12-29(18-24(29)16-27)23-8-5-7-22(15-23)19-31/h5-10,15,17,20-21,24,27H,11-14,16,18H2,1-4H3,(H,32,35)/t24?,27?,29-/m1/s1
    MOLECULAR FORMULA
    C29H37FN4O
    CROSS REFERENCES
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    canSAR782123

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.30
    AlogP 6.16
    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 canSAR782123.