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canSAR1727078
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NAMES
    SMILES
    N#C[C@H]1C[C@@H](C(=O)NC2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1
    InChI
    InChI=1S/C22H25ClN6O2/c23-15-5-7-17(8-6-15)26-21-18(20(25)30)12-29(28-21)19-9-4-13(10-14(19)11-24)22(31)27-16-2-1-3-16/h5-8,12-14,16,19H,1-4,9-10H2,(H2,25,30)(H,26,28)(H,27,31)/t13-,14+,19-/m0/s1
    MOLECULAR FORMULA
    C22H25ClN6O2
    CROSS REFERENCES
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    canSAR1727078

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.17
    AlogP 3.53
    HBond donors 4
    HBond acceptors 8
    Atoms 56
    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 canSAR1727078.