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canSAR1130217
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NAMES
    SMILES
    COc1cc(OC)cc(-c2nc3cc(C(=O)NCCc4ccccc4)ccc3n2CCc2ccc(OC)c(OC)c2)c1
    InChI
    InChI=1S/C34H35N3O5/c1-39-27-19-26(20-28(22-27)40-2)33-36-29-21-25(34(38)35-16-14-23-8-6-5-7-9-23)11-12-30(29)37(33)17-15-24-10-13-31(41-3)32(18-24)42-4/h5-13,18-22H,14-17H2,1-4H3,(H,35,38)
    MOLECULAR FORMULA
    C34H35N3O5
    CROSS REFERENCES
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    canSAR1130217

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.26
    AlogP 5.95
    HBond donors 1
    HBond acceptors 8
    Atoms 77
    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 canSAR1130217.