General Information of the Compound
| Compound ID |
CP0222762
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,4-dichlorophenyl)-2H-chromene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11Cl2NO2
|
||||||||||||||||||
| Molecular Weight |
320.175
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11Cl2NO2/c17-13-6-5-12(8-14(13)18)19-16(20)11-7-10-3-1-2-4-15(10)21-9-11/h1-8H,9H2,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZKJJJGXPVYJKY-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: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000749 | HUVEC-C | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 8400 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|