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canSAR933433
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NAMES
    SMILES
    O=C(NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1Cc1ccccc1)C2)c1ccc(O)cc1
    InChI
    InChI=1S/C31H32N2O4/c34-24-9-6-22(7-10-24)28(36)32-20-29-12-13-31(37-29)27-16-23-8-11-25(35)17-26(23)30(31,19-29)14-15-33(27)18-21-4-2-1-3-5-21/h1-11,17,27,34-35H,12-16,18-20H2,(H,32,36)/t27-,29+,30-,31-/m1/s1
    MOLECULAR FORMULA
    C31H32N2O4
    CROSS REFERENCES
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    canSAR933433

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.24
    AlogP 4.29
    HBond donors 3
    HBond acceptors 6
    Atoms 69
    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 canSAR933433.