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canSAR1216827
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NAMES
    SMILES
    COC(=O)[C@]1(c2ccccc2)N=CN(CC2CC2)[C@H]1c1ccc(Cl)cc1
    InChI
    InChI=1S/C21H21ClN2O2/c1-26-20(25)21(17-5-3-2-4-6-17)19(16-9-11-18(22)12-10-16)24(14-23-21)13-15-7-8-15/h2-6,9-12,14-15,19H,7-8,13H2,1H3/t19-,21+/m0/s1
    MOLECULAR FORMULA
    C21H21ClN2O2
    CROSS REFERENCES
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    canSAR1216827

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 368.13
    AlogP 4.20
    HBond donors 0
    HBond acceptors 4
    Atoms 47
    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 canSAR1216827.