canSAR817788
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/CC(=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/C43H56N2O5/c1-22(2)34-37(49)32-31-24(27-21-39(3,4)50-40(5,6)33(27)36(31)48)20-25-26-19-23-14-15-28-41(7,17-12-13-30(47)44(10)11)29(46)16-18-42(28,8)43(23,9)38(26)45(34)35(25)32/h12,17,20-21,23,28-29,33-34,36,46,48H,1,13-16,18-19H2,2-11H3/b17-12+/t23?,28-,29-,33?,34-,36+,41-,42-,43+/m0/s1
    MOLECULAR FORMULA
    C43H56N2O5
    CROSS REFERENCES
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    canSAR817788
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight680.42
    AlogP7.63
    HBond donors2
    HBond acceptors7
    Atoms106
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR817788.