General Information of the Compound
| Compound ID |
CP0136363
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[(3aS,6aR)-1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H34FN3O5
|
||||||||||||||||||
| Molecular Weight |
559.638
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(CN2CC[C@H]3C(CC[C@@H]23)Nc2nc3ccc(cc3o2)C(O)=O)cc(OCC)c1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H34FN3O5/c1-3-39-28-15-19(16-29(40-4-2)30(28)20-5-8-22(33)9-6-20)18-36-14-13-23-24(11-12-26(23)36)34-32-35-25-10-7-21(31(37)38)17-27(25)41-32/h5-10,15-17,23-24,26H,3-4,11-14,18H2,1-2H3,(H,34,35)(H,37,38)/t23-,24?,26+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VOZUDWOEAFDHSE-JNOFKKGSSA-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
Protein ID: PT00930, Somatostatin receptor type 1
Protein ID: PT01196, Somatostatin receptor type 5
Protein ID: PT06443, Somatostatin receptor type 5