General Information of the Compound
| Compound ID |
CP0503498
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(6,7-Dihydro-5H-dibenzo[b,d]azepin-5-ylcarbonyl)-2-methylbenzylcarbamoyl)-L-proline-N,N-dimethylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34N4O3
|
||||||||||||||||||
| Molecular Weight |
510.638
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCc2ccccc2-c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34N4O3/c1-21-19-23(14-15-24(21)20-32-31(38)35-17-8-13-28(35)30(37)33(2)3)29(36)34-18-16-22-9-4-5-10-25(22)26-11-6-7-12-27(26)34/h4-7,9-12,14-15,19,28H,8,13,16-18,20H2,1-3H3,(H,32,38)/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWHIHMDECKPEOF-NDEPHWFRSA-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