General Information of the Compound
| Compound ID |
CP0535073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12N4O3
|
||||||||||||||||||
| Molecular Weight |
284.275
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc2N(CCc2c1)C(=O)Nc1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12N4O3/c19-14(16-11-2-1-6-15-9-11)17-7-5-10-8-12(18(20)21)3-4-13(10)17/h1-4,6,8-9H,5,7H2,(H,16,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBIZDMWYWUAKCO-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C