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canSAR1111895
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NAMES
    SMILES
    COc1ccc(CCn2c(-c3cc(OC)c(OC)c(OC)c3)nc3cc(C(=O)NCCc4ccccc4)ccc32)cc1OC
    InChI
    InChI=1S/C35H37N3O6/c1-40-29-14-11-24(19-30(29)41-2)16-18-38-28-13-12-25(35(39)36-17-15-23-9-7-6-8-10-23)20-27(28)37-34(38)26-21-31(42-3)33(44-5)32(22-26)43-4/h6-14,19-22H,15-18H2,1-5H3,(H,36,39)
    MOLECULAR FORMULA
    C35H37N3O6
    CROSS REFERENCES
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    canSAR1111895

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 595.27
    AlogP 5.96
    HBond donors 1
    HBond acceptors 9
    Atoms 81
    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 canSAR1111895.