General Information of the Compound
| Compound ID |
CP0455770
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N2O4
|
||||||||||||||||||
| Molecular Weight |
448.563
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CCOc2ccc(CN3CCC4(CN(C(=O)C4)c4ccc(cc4)C(O)=O)CC3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N2O4/c1-26(2)11-14-33-23-8-3-19(15-22(23)26)17-28-12-9-27(10-13-28)16-24(30)29(18-27)21-6-4-20(5-7-21)25(31)32/h3-8,15H,9-14,16-18H2,1-2H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SZCOLCZUMNMCCA-UHFFFAOYSA-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: PT01196, Somatostatin receptor type 5
Protein ID: PT06443, Somatostatin receptor type 5