General Information of the Compound
| Compound ID |
CP0066473
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8987314, B34
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28N6O6S3
|
||||||||||||||||||
| Molecular Weight |
556.692
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1cnn(CCN2CCOCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28N6O6S3/c1-35(29,30)19(20(28)23-4-11-36(22,31)32)21-25-17-3-2-15(12-18(17)34-21)16-13-24-27(14-16)6-5-26-7-9-33-10-8-26/h2-3,12-14,19H,4-11H2,1H3,(H,23,28)(H2,22,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPUYSECBAZQBNP-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: PT06562, Endothelial lipase
Protein ID: PT02459, Hepatic triacylglycerol lipase