General Information of the Compound
| Compound ID |
CP0426705
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14N6OS
|
||||||||||||||||||
| Molecular Weight |
362.418
|
||||||||||||||||||
| Canonical SMILES |
CC(O)(C#Cc1cncc(c1)-n1ccc2cnc(N)nc12)c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14N6OS/c1-18(25,16-21-5-7-26-16)4-2-12-8-14(11-20-9-12)24-6-3-13-10-22-17(19)23-15(13)24/h3,5-11,25H,1H3,(H2,19,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQVCLEKKDVOCNF-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