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canSAR837496
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NAMES
    SMILES
    CC(=O)N1C[C@@H](C)C[C@H]2O[C@]3(CC[C@@H]4C(=C(C)C3)C[C@H]3[C@H]4CCC4=CC(=O)CC[C@@]43C)[C@H](C)[C@@H]21
    InChI
    InChI=1S/C30H43NO3/c1-17-12-27-28(31(16-17)20(4)32)19(3)30(34-27)11-9-23-24-7-6-21-13-22(33)8-10-29(21,5)26(24)14-25(23)18(2)15-30/h13,17,19,23-24,26-28H,6-12,14-16H2,1-5H3/t17-,19+,23-,24-,26-,27+,28-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C30H43NO3
    CROSS REFERENCES
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    canSAR837496

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 465.32
    AlogP 5.86
    HBond donors 0
    HBond acceptors 4
    Atoms 77
    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 canSAR837496.