General Information of the Compound
| Compound ID |
CP0428208
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[6-methyl-1-[2-(triazol-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N5O2
|
||||||||||||||||||
| Molecular Weight |
347.378
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(CC(O)=O)cn(-c3ccccc3Cn3ccnn3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N5O2/c1-13-6-7-16-15(10-18(25)26)12-24(19(16)21-13)17-5-3-2-4-14(17)11-23-9-8-20-22-23/h2-9,12H,10-11H2,1H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXXWYWNCMGKWSI-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