General Information of the Compound
| Compound ID |
CP0525987
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-(3-chlorophenyl)ethynyl)pyrimidine
Show/Hide
|
||||||||||||||||||
| Synonyms |
5-(2-(3-chlorophenyl)ethynyl)pyrimidine
CHEMBL487870
SCHEMBL13732174
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H7ClN2
|
||||||||||||||||||
| Molecular Weight |
214.655
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(c1)C#Cc1cncnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H7ClN2/c13-12-3-1-2-10(6-12)4-5-11-7-14-9-15-8-11/h1-3,6-9H
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYUKCJHVLPJKLQ-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
Clinical Information about the Compound