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canSAR1985250
FEATURES
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NAMES
    SMILES
    CC1(C)CC(=O)C(C=NCCN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)=C(O)C1
    InChI
    InChI=1S/C23H31ClN4O3/c1-23(2)13-20(29)19(21(30)14-23)15-25-7-8-27-9-11-28(12-10-27)16-22(31)26-18-5-3-17(24)4-6-18/h3-6,15,29H,7-14,16H2,1-2H3,(H,26,31)
    MOLECULAR FORMULA
    C23H31ClN4O3
    CROSS REFERENCES
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    canSAR1985250

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.21
    AlogP 3.17
    HBond donors 2
    HBond acceptors 7
    Atoms 62
    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 canSAR1985250.