General Information of the Compound
| Compound ID |
CP0509328
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2,5-dimethylphenylsulfonyl)-N-(1-phenylethyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21N5O2S2
|
||||||||||||||||||
| Molecular Weight |
463.588
|
||||||||||||||||||
| Canonical SMILES |
CC(Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cc(C)ccc1C)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N5O2S2/c1-14-9-10-15(2)19(13-14)32(29,30)23-22-25-21(24-16(3)17-7-5-4-6-8-17)20-18(11-12-31-20)28(22)27-26-23/h4-13,16H,1-3H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZLYQEDMKFMTHM-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