General Information of the Compound
| Compound ID |
CP0538045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R)-4-Benzyloxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzylcarbamoyl)-L-proline-N,N-dimethylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H40N4O4
|
||||||||||||||||||
| Molecular Weight |
568.718
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)[C@@H]1C[C@H](CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H40N4O4/c1-24-19-27(32(39)37-18-10-9-14-26-13-7-8-15-30(26)37)16-17-28(24)21-35-34(41)38-22-29(20-31(38)33(40)36(2)3)42-23-25-11-5-4-6-12-25/h4-8,11-13,15-17,19,29,31H,9-10,14,18,20-23H2,1-3H3,(H,35,41)/t29-,31+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULTFFZFLGBBBSP-VEEOACQBSA-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