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canSAR1864227
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NAMES
    SMILES
    O=C(N[C@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@H]2COC1=O)OCC1c2ccccc2-c2ccccc21
    InChI
    InChI=1S/C39H43N3O7/c43-22-21-41(24-27-11-2-1-3-12-27)36(44)23-28-13-4-9-19-35(38(46)48-25-29-14-10-20-42(29)37(28)45)40-39(47)49-26-34-32-17-7-5-15-30(32)31-16-6-8-18-33(31)34/h1-9,11-12,15-18,28-29,34-35,43H,10,13-14,19-26H2,(H,40,47)/b9-4-/t28-,29-,35-/m0/s1
    MOLECULAR FORMULA
    C39H43N3O7
    CROSS REFERENCES
    1864227 logo

    canSAR1864227

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 665.31
    AlogP 4.81
    HBond donors 2
    HBond acceptors 10
    Atoms 92
    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 canSAR1864227.