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canSAR1690478
FEATURES
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NAMES
    SMILES
    O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1
    InChI
    InChI=1S/C33H36N2O7/c36-20-30-32-28(27-16-23(8-11-29(27)42-32)35-33(38)22-12-14-39-15-13-22)17-26(41-30)18-31(37)34-19-21-6-9-25(10-7-21)40-24-4-2-1-3-5-24/h1-11,16,22,26,28,30,32,36H,12-15,17-20H2,(H,34,37)(H,35,38)/t26-,28-,30-,32+/m1/s1
    MOLECULAR FORMULA
    C33H36N2O7
    CROSS REFERENCES
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    canSAR1690478

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 572.25
    AlogP 4.54
    HBond donors 3
    HBond acceptors 9
    Atoms 78
    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 canSAR1690478.