General Information of the Compound
| Compound ID |
CP0068570
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(7S,8R,11S)-8-[3-(3-isopropyl-5-methyl-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 |
C31H43N3O5
|
||||||||||||||||||
| Molecular Weight |
537.701
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3cc(C)cc(c3)C(C)C)C(=O)N1)C(=O)NO)cc2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H43N3O5/c1-20(2)24-17-21(3)16-23(18-24)8-7-10-26-27(30(36)34-38)9-5-6-15-39-25-13-11-22(12-14-25)19-28(31(37)32-4)33-29(26)35/h11-14,16-18,20,26-28,38H,5-10,15,19H2,1-4H3,(H,32,37)(H,33,35)(H,34,36)/t26-,27+,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YINOLIYDTHQXKP-PKTNWEFCSA-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