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canSAR1987264
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NAMES
    SMILES
    COc1cc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)c(Cl)cn1
    InChI
    InChI=1S/C21H22ClN3O4/c1-19(2)20(9-27-10-20)21(11-28-18(23)25-21)14-6-12(4-5-16(14)29-19)13-7-17(26-3)24-8-15(13)22/h4-8H,9-11H2,1-3H3,(H2,23,25)
    MOLECULAR FORMULA
    C21H22ClN3O4
    CROSS REFERENCES
    1987264 logo

    canSAR1987264

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 415.13
    AlogP 3.14
    HBond donors 2
    HBond acceptors 7
    Atoms 51
    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 canSAR1987264.