General Information of the Compound
| Compound ID |
CP0543832
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)phenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17N5O2S
|
||||||||||||||||||
| Molecular Weight |
391.456
|
||||||||||||||||||
| Canonical SMILES |
COc1nc(N)nc2n(ccc12)-c1cccc(c1)C#CC(C)(O)c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17N5O2S/c1-20(26,18-22-9-11-28-18)8-6-13-4-3-5-14(12-13)25-10-7-15-16(25)23-19(21)24-17(15)27-2/h3-5,7,9-12,26H,1-2H3,(H2,21,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LGGORNNFZYBDPB-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