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canSAR1063722
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NAMES
    SMILES
    COc1cc2c(c(OC)c1OC)-c1ccc(NCCO)c(=O)cc1[C@@H](NC(C)=O)CC2
    InChI
    InChI=1S/C23H28N2O6/c1-13(27)25-17-7-5-14-11-20(29-2)22(30-3)23(31-4)21(14)15-6-8-18(24-9-10-26)19(28)12-16(15)17/h6,8,11-12,17,26H,5,7,9-10H2,1-4H3,(H,24,28)(H,25,27)/t17-/m0/s1
    MOLECULAR FORMULA
    C23H28N2O6
    CROSS REFERENCES
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    canSAR1063722

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.19
    AlogP 2.27
    HBond donors 3
    HBond acceptors 8
    Atoms 59
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1063722.