canSAR823768
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)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)C1[C@@H]3O
    InChI
    InChI=1S/C47H57N3O5/c1-25(2)37-40(53)35-34-28(31-23-43(3,4)55-44(5,6)36(31)39(34)52)22-29-30-21-27-14-15-32-45(7,17-12-13-26(24-48)42(54)49-19-10-11-20-49)33(51)16-18-46(32,8)47(27,9)41(30)50(37)38(29)35/h12-13,17,22-23,27,32-33,36-37,39,51-52H,1,10-11,14-16,18-21H2,2-9H3/b17-12+,26-13+/t27?,32-,33-,36?,37-,39+,45-,46-,47+/m0/s1
    MOLECULAR FORMULA
    C47H57N3O5
    CROSS REFERENCES
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    canSAR823768
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight743.43
    AlogP8.22
    HBond donors2
    HBond acceptors8
    Atoms112
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823768.