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canSAR1494714
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NAMES
    SMILES
    Cc1cc(F)c(-c2nc3cc(N4CCC4)ncc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
    InChI
    InChI=1S/C29H27FN6O/c1-18-13-24(30)23(28-33-25-15-27(35-9-2-10-35)32-17-26(25)34-28)14-22(18)29(37)36-11-7-21(8-12-36)20-5-3-19(16-31)4-6-20/h3-6,13-15,17,21H,2,7-12H2,1H3,(H,33,34)
    MOLECULAR FORMULA
    C29H27FN6O
    CROSS REFERENCES
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    canSAR1494714

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.22
    AlogP 5.17
    HBond donors 1
    HBond acceptors 7
    Atoms 64
    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 canSAR1494714.