canSAR824485
FEATURES
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NAMES
    SMILES
    C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)C(CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)C1[C@@H]3O
    InChI
    InChI=1S/C45H55N3O5/c1-23(2)35-38(51)33-32-26(29-21-41(3,4)53-42(5,6)34(29)37(32)50)20-27-28-19-25-14-15-30-43(7,17-12-13-24(22-46)40(52)47(10)11)31(49)16-18-44(30,8)45(25,9)39(28)48(35)36(27)33/h12-13,17,20-21,25,30-31,34-35,37,49-50H,1,14-16,18-19H2,2-11H3/b17-12+,24-13+/t25?,30-,31-,34?,35-,37+,43-,44-,45+/m0/s1
    MOLECULAR FORMULA
    C45H55N3O5
    CROSS REFERENCES
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    canSAR824485
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight717.41
    AlogP7.69
    HBond donors2
    HBond acceptors8
    Atoms108
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824485.