General Information of the Compound
| Compound ID |
CP0147600
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-methyl-1-[(4-propan-2-ylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N2O4S
|
||||||||||||||||||
| Molecular Weight |
386.473
|
||||||||||||||||||
| Canonical SMILES |
CC(C)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N2O4S/c1-13(2)27(25,26)16-8-6-15(7-9-16)12-22-14(3)18(11-19(23)24)17-5-4-10-21-20(17)22/h4-10,13H,11-12H2,1-3H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMCRMQJEYLGRKF-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