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canSAR1766055
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NAMES
    SMILES
    COc1cc(OC)c2c(-c3ccccc3)cc(=O)oc2c1C(CCN1CCOCC1)c1ccc(N(C)C)cc1
    InChI
    InChI=1S/C32H36N2O5/c1-33(2)24-12-10-23(11-13-24)25(14-15-34-16-18-38-19-17-34)30-27(36-3)21-28(37-4)31-26(20-29(35)39-32(30)31)22-8-6-5-7-9-22/h5-13,20-21,25H,14-19H2,1-4H3
    MOLECULAR FORMULA
    C32H36N2O5
    CROSS REFERENCES
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    canSAR1766055

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.26
    AlogP 5.40
    HBond donors 0
    HBond acceptors 7
    Atoms 75
    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 canSAR1766055.