General Information of the Compound
| Compound ID |
CP0577157
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-[2-(4-ethynylpyridin-2-yl)ethynyl]benzimidazol-1-yl]pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H12N6
|
||||||||||||||||||
| Molecular Weight |
336.358
|
||||||||||||||||||
| Canonical SMILES |
Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1cc(ccn1)C#C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H12N6/c1-2-14-7-9-22-16(11-14)5-3-15-4-6-17-18(12-15)26(13-24-17)19-8-10-23-20(21)25-19/h1,4,6-13H,(H2,21,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QVJRQBXFOYQYMK-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 | |||||||||||||||||||
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