General Information of the Compound
| Compound ID |
CP0368353
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(R)-1-(2-Chloro-4-pyrrolidin-1-yl-benzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl]-N-isopropyl-acetamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-[1-[2-Chloro-4-(1-pyrrolidinyl)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepin-5(R)-yl]-N-isopropylacetamide
OPC-51803
SOU-003
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32ClN3O2
|
||||||||||||||||||
| Molecular Weight |
454.014
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC(=O)C[C@H]1CCCN(C(=O)c2ccc(cc2Cl)N2CCCC2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
INGXCNVWWKKWOO-LJQANCHMSA-N
|
||||||||||||||||||
| CAS |
192514-54-8
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| DrugBank 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: PT01839, Vasopressin V1a receptor
Protein ID: PT01840, Vasopressin V1b receptor
Protein ID: PT01648, Vasopressin V2 receptor
Clinical Information about the Compound