General Information of the Compound
| Compound ID |
CP0061136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(7S,8R,11S)-8-[3-(4-ethoxy-phenyl)-propyl]-9-oxo-2-oxa-10-aza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-7,11-dicarboxylic acid 7-hydroxyamide 11-methylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39N3O6
|
||||||||||||||||||
| Molecular Weight |
525.646
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(CCC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)NC)cc3)C(=O)NO)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39N3O6/c1-3-37-22-14-10-20(11-15-22)7-6-9-24-25(28(34)32-36)8-4-5-18-38-23-16-12-21(13-17-23)19-26(29(35)30-2)31-27(24)33/h10-17,24-26,36H,3-9,18-19H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFKQCTSECBMUHK-ZNZIZOMTSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound