General Information of the Compound
| Compound ID |
CP0054113
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[(4-cyanophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15N3O2
|
||||||||||||||||||
| Molecular Weight |
305.337
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15N3O2/c1-12-16(9-17(22)23)15-3-2-8-20-18(15)21(12)11-14-6-4-13(10-19)5-7-14/h2-8H,9,11H2,1H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OEZMIRLZJVXIIC-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