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canSAR1106247
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)c2cc3cc(C(c4c[nH]c5ccc(OC)cc45)c4c[nH]c5ccc(OC)cc45)cc(C(C)(C)C)c3o2)cc1
    InChI
    InChI=1S/C39H36N2O5/c1-39(2,3)32-16-23(15-24-17-35(46-38(24)32)37(42)22-7-9-25(43-4)10-8-22)36(30-20-40-33-13-11-26(44-5)18-28(30)33)31-21-41-34-14-12-27(45-6)19-29(31)34/h7-21,36,40-41H,1-6H3
    MOLECULAR FORMULA
    C39H36N2O5
    CROSS REFERENCES
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    canSAR1106247

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.26
    AlogP 9.13
    HBond donors 2
    HBond acceptors 7
    Atoms 82
    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 canSAR1106247.