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canSAR1120301
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NAMES
    SMILES
    CCN(CC)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccco3)c3c2OC(C)(C)C=C3)cc1
    InChI
    InChI=1S/C29H29NO5/c1-5-30(6-2)21-12-9-20(10-13-21)11-15-24(31)22-14-16-25(34-28(32)26-8-7-19-33-26)23-17-18-29(3,4)35-27(22)23/h7-19H,5-6H2,1-4H3/b15-11+
    MOLECULAR FORMULA
    C29H29NO5
    CROSS REFERENCES
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    canSAR1120301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.20
    AlogP 6.43
    HBond donors 0
    HBond acceptors 6
    Atoms 64
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1120301.