General Information of the Compound
| Compound ID |
CP0916651
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-(2-Nitro-phenylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(R)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31N5O4S
|
||||||||||||||||||
| Molecular Weight |
545.665
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1/C(S)=N/c1ccccc1[N+](=O)[O-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31N5O4S/c1-32(20-22-13-6-3-7-14-22)28(36)24(19-21-11-4-2-5-12-21)30-27(35)26-17-10-18-33(26)29(39)31-23-15-8-9-16-25(23)34(37)38/h2-9,11-16,24,26H,10,17-20H2,1H3,(H,30,35)(H,31,39)/t24-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YEVSUPHBPJRSDX-AOYPEHQESA-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