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canSAR836699
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NAMES
    SMILES
    C#CCO/N=C1\C[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)c2cc(OCCCc3ccccc3)ccc21
    InChI
    InChI=1S/C29H33NO4/c1-4-17-34-30-25-20-26-28(2,15-9-16-29(26,3)27(31)32)24-19-22(13-14-23(24)25)33-18-8-12-21-10-6-5-7-11-21/h1,5-7,10-11,13-14,19,26H,8-9,12,15-18,20H2,2-3H3,(H,31,32)/b30-25+/t26-,28-,29+/m1/s1
    MOLECULAR FORMULA
    C29H33NO4
    CROSS REFERENCES
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    canSAR836699

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.24
    AlogP 5.60
    HBond donors 1
    HBond acceptors 5
    Atoms 67
    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 canSAR836699.