General Information of the Compound
| Compound ID |
CP0562533
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(3,4-dichlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22Cl2N4O3S
|
||||||||||||||||||
| Molecular Weight |
517.438
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1Cl)S(=O)(=O)NCCNC(=O)CCc1ccc(cc1)-c1cnc2[nH]ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22Cl2N4O3S/c25-21-7-6-20(14-22(21)26)34(32,33)30-12-11-27-23(31)8-3-16-1-4-17(5-2-16)19-13-18-9-10-28-24(18)29-15-19/h1-2,4-7,9-10,13-15,30H,3,8,11-12H2,(H,27,31)(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQMSDUOEQAWTFX-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