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canSAR921713
FEATURES
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NAMES
    SMILES
    CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)c(Cl)c2)C1=O
    InChI
    InChI=1S/C22H19Cl2N3O2/c1-2-26-11-19(28)27-18(22(26)29)10-14-13-5-3-4-6-17(13)25-20(14)21(27)12-7-8-15(23)16(24)9-12/h3-9,18,21,25H,2,10-11H2,1H3/t18-,21-/m0/s1
    MOLECULAR FORMULA
    C22H19Cl2N3O2
    CROSS REFERENCES
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    canSAR921713

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.09
    AlogP 4.18
    HBond donors 1
    HBond acceptors 5
    Atoms 48
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR921713.