General Information of the Compound
| Compound ID |
CP0551140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-benzyl-6-(3,4-dichlorophenyl)-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18Cl2N6S
|
||||||||||||||||||
| Molecular Weight |
481.412
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1Cl)C1=Nn2c(SC1Cc1ccccc1)nnc2-c1[nH]nc2CCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18Cl2N6S/c24-16-10-9-14(12-17(16)25)20-19(11-13-5-2-1-3-6-13)32-23-29-28-22(31(23)30-20)21-15-7-4-8-18(15)26-27-21/h1-3,5-6,9-10,12,19H,4,7-8,11H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCBQOVRKAWIVSX-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