General Information of the Compound
| Compound ID |
CP0385485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N4O2S2
|
||||||||||||||||||
| Molecular Weight |
400.529
|
||||||||||||||||||
| Canonical SMILES |
Cc1sc2ncnc(SCC(=O)c3c[nH]c(c3)C(=O)N3CCCC3)c2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N4O2S2/c1-11-12(2)27-18-16(11)17(21-10-22-18)26-9-15(24)13-7-14(20-8-13)19(25)23-5-3-4-6-23/h7-8,10,20H,3-6,9H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWLRMZVCNCLEFE-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