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canSAR344444
FEATURES
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NAMES
    SMILES
    COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(c3cccc(N)c3)CCCO2)C(=O)O)cc1
    InChI
    InChI=1S/C28H30N2O6/c1-34-23-8-4-9-24(35-2)25(23)19-12-10-18(11-13-19)16-22(26(31)32)30-27(33)28(14-5-15-36-28)20-6-3-7-21(29)17-20/h3-4,6-13,17,22H,5,14-16,29H2,1-2H3,(H,30,33)(H,31,32)/t22-,28-/m0/s1
    MOLECULAR FORMULA
    C28H30N2O6
    CROSS REFERENCES
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    canSAR344444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.21
    AlogP 3.77
    HBond donors 4
    HBond acceptors 8
    Atoms 66
    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 canSAR344444.