General Information of the Compound
| Compound ID |
CP0380713
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-N-[2-(4-nitrophenyl)ethyl]-1H-indole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14ClN3O3
|
||||||||||||||||||
| Molecular Weight |
343.77
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14ClN3O3/c18-13-3-6-15-12(9-13)10-16(20-15)17(22)19-8-7-11-1-4-14(5-2-11)21(23)24/h1-6,9-10,20H,7-8H2,(H,19,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZLSXSVZUOHCGHA-UHFFFAOYSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2