General Information of the Compound
| Compound ID |
CP0072332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38FN3O4
|
||||||||||||||||||
| Molecular Weight |
535.66
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cc(-c2ccc(F)cc2)c(cc1CN1CC2(C1)CC(=NO2)N1CCC(C)(CC1)C(O)=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38FN3O4/c1-20(2)38-27-15-26(22-6-8-24(32)9-7-22)25(21-4-5-21)14-23(27)17-34-18-31(19-34)16-28(33-39-31)35-12-10-30(3,11-13-35)29(36)37/h6-9,14-15,20-21H,4-5,10-13,16-19H2,1-3H3,(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZUSGIIHZHENAB-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