canSAR824506
FEATURES
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NAMES
    SMILES
    COc1ccc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2
    InChI
    InChI=1S/C36H40N4O9/c1-42-27-12-11-22(34-38-39-35(49-34)23-17-31(44-3)33(46-5)32(18-23)45-4)16-29(27)47-14-7-6-8-15-48-30-20-26-25(19-28(30)43-2)36(41)40-13-9-10-24(40)21-37-26/h11-12,16-21,24H,6-10,13-15H2,1-5H3/t24-/m0/s1
    MOLECULAR FORMULA
    C36H40N4O9
    CROSS REFERENCES
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    canSAR824506
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight672.28
    AlogP6.40
    HBond donors0
    HBond acceptors13
    Atoms89
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824506.