General Information of the Compound
| Compound ID |
CP0236026
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-propan-2-ylbenzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15N3O2
|
||||||||||||||||||
| Molecular Weight |
305.337
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc(ccc1C(O)=O)-c1c[nH]c2nc(ccc12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15N3O2/c1-10(2)15-7-11(3-5-14(15)18(22)23)16-9-20-17-13(16)6-4-12(8-19)21-17/h3-7,9-10H,1-2H3,(H,20,21)(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXYDEXUUVLXZDU-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