General Information of the Compound
| Compound ID |
CP0502404
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-ethylphenylsulfonyl)-N-phenethylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21N5O2S2
|
||||||||||||||||||
| Molecular Weight |
463.588
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCCc3ccccc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N5O2S2/c1-2-16-8-10-18(11-9-16)32(29,30)23-22-25-21(24-14-12-17-6-4-3-5-7-17)20-19(13-15-31-20)28(22)27-26-23/h3-11,13,15H,2,12,14H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BOCKHYZDGOPDGR-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