General Information of the Compound
| Compound ID |
CP0238038
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(5-methyl-1H-pyrazol-4-yl)-2-(pyrrolidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17N5OS
|
||||||||||||||||||
| Molecular Weight |
315.402
|
||||||||||||||||||
| Canonical SMILES |
Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUYIKPWUBQUQAV-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
Protein ID: PT00985, Cell division cycle 7-related protein kinase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000163 | COLO 205 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 1100 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|