General Information of the Compound
| Compound ID |
CP0530084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(benzenesulfonamido)ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N4O3S
|
||||||||||||||||||
| Molecular Weight |
448.548
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCc1ccc(cc1)-c1cnc2[nH]ccc2c1)NCCNS(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N4O3S/c29-23(25-14-15-28-32(30,31)22-4-2-1-3-5-22)11-8-18-6-9-19(10-7-18)21-16-20-12-13-26-24(20)27-17-21/h1-7,9-10,12-13,16-17,28H,8,11,14-15H2,(H,25,29)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSFUYDDDSYMIOU-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