General Information of the Compound
| Compound ID |
CP0459478
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(2-amino-6-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)phenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17N5OS
|
||||||||||||||||||
| Molecular Weight |
375.457
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]c2cnc(N)nc2c1-c1cccc(c1)C#CC(C)(O)c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17N5OS/c1-12-16(17-15(24-12)11-23-19(21)25-17)14-5-3-4-13(10-14)6-7-20(2,26)18-22-8-9-27-18/h3-5,8-11,24,26H,1-2H3,(H2,21,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMGCKUBTROHASO-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