General Information of the Compound
| Compound ID |
CP0421749
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-[benzylsulfonyl-[5-[(sulfamoylamino)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzothiazol-6-yl]-2-chloro-N,N-dimethylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25ClN6O6S3
|
||||||||||||||||||
| Molecular Weight |
661.187
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1Cl)-c1ccc2nc(sc2c1)C(c1nnc(CNS(N)(=O)=O)o1)S(=O)(=O)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25ClN6O6S3/c1-34(2)27(35)19-10-8-17(12-20(19)28)18-9-11-21-22(13-18)41-26(31-21)24(42(36,37)15-16-6-4-3-5-7-16)25-33-32-23(40-25)14-30-43(29,38)39/h3-13,24,30H,14-15H2,1-2H3,(H2,29,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJHPWLJWLANJOG-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: PT01303, Endothelial lipase
Protein ID: PT02459, Hepatic triacylglycerol lipase