General Information of the Compound
| Compound ID |
CP0507981
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R)-4-Ethoxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzyl-carbamoyl)-L-proline-N,N-dimethylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38N4O4
|
||||||||||||||||||
| Molecular Weight |
506.647
|
||||||||||||||||||
| Canonical SMILES |
CCO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N4O4/c1-5-37-24-17-26(28(35)31(3)4)33(19-24)29(36)30-18-23-14-13-22(16-20(23)2)27(34)32-15-9-8-11-21-10-6-7-12-25(21)32/h6-7,10,12-14,16,24,26H,5,8-9,11,15,17-19H2,1-4H3,(H,30,36)/t24-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTIVQBYZZUZZGE-RSXGOPAZSA-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: PT01648, Vasopressin V2 receptor
Protein ID: PT01884, Vasopressin V2 receptor