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canSAR392811
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NAMES
    SMILES
    CCN1CCCC(CNC(=O)/C(=C/C=C/c2cc3cc(Cl)c(Cl)cc3[nH]2)OC)C1
    InChI
    InChI=1S/C22H27Cl2N3O2/c1-3-27-9-5-6-15(14-27)13-25-22(28)21(29-2)8-4-7-17-10-16-11-18(23)19(24)12-20(16)26-17/h4,7-8,10-12,15,26H,3,5-6,9,13-14H2,1-2H3,(H,25,28)
    MOLECULAR FORMULA
    C22H27Cl2N3O2
    CROSS REFERENCES
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    canSAR392811

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.15
    AlogP 4.87
    HBond donors 2
    HBond acceptors 5
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR392811.