General Information of the Compound
| Compound ID |
CP0506312
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-methyl-1-(4-nitrophenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13N3O6S
|
||||||||||||||||||
| Molecular Weight |
375.362
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13N3O6S/c1-10-14(9-15(20)21)13-3-2-8-17-16(13)18(10)26(24,25)12-6-4-11(5-7-12)19(22)23/h2-8H,9H2,1H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTDZITUKXHOIAB-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