General Information of the Compound
| Compound ID |
CP0570004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-chlorophenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18ClN3O
|
||||||||||||||||||
| Molecular Weight |
375.859
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]ccc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18ClN3O/c23-19-5-2-6-20(13-19)26-21(27)8-7-15-3-1-4-16(11-15)18-12-17-9-10-24-22(17)25-14-18/h1-6,9-14H,7-8H2,(H,24,25)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JFBOJFLAAOBTDL-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 | |||||||||||||||||||
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