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canSAR1059808
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NAMES
    SMILES
    O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1
    InChI
    InChI=1S/C26H29ClN2O4/c27-22-13-11-20(12-14-22)17-28-25(31)16-21-9-5-2-6-10-24(30)29-23(18-33-26(21)32)15-19-7-3-1-4-8-19/h1-5,7-8,11-14,21,23H,6,9-10,15-18H2,(H,28,31)(H,29,30)/b5-2+/t21-,23+/m0/s1
    MOLECULAR FORMULA
    C26H29ClN2O4
    CROSS REFERENCES
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    canSAR1059808

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.18
    AlogP 3.97
    HBond donors 2
    HBond acceptors 6
    Atoms 62
    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 canSAR1059808.