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canSAR1767097
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NAMES
    SMILES
    COc1cccc(N2CCN(c3cc(O)n(-c4cccc(Cl)c4)c3O)CC2)c1
    InChI
    InChI=1S/C21H22ClN3O3/c1-28-18-7-3-5-16(13-18)23-8-10-24(11-9-23)19-14-20(26)25(21(19)27)17-6-2-4-15(22)12-17/h2-7,12-14,26-27H,8-11H2,1H3
    MOLECULAR FORMULA
    C21H22ClN3O3
    CROSS REFERENCES
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    canSAR1767097

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.13
    AlogP 3.88
    HBond donors 2
    HBond acceptors 6
    Atoms 50
    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 canSAR1767097.