General Information of the Compound
| Compound ID |
CP0946337
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-dimethyl-5-((5-(1-methyl-1H-benzo[d]imidazol-2-ylthio)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16N4O4S
|
||||||||||||||||||
| Molecular Weight |
396.428
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)C(=Cc2ccc(Sc3nc4ccccc4n3C)o2)C(=O)N(C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16N4O4S/c1-21-14-7-5-4-6-13(14)20-18(21)28-15-9-8-11(27-15)10-12-16(24)22(2)19(26)23(3)17(12)25/h4-10H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AOJQWRCMHYWKLQ-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