General Information of the Compound
| Compound ID |
CP0529201
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-methoxyphenyl)-5-[2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]phenyl]tetrazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15F3N8O
|
||||||||||||||||||
| Molecular Weight |
464.411
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1nnc(n1)-c1ccccc1-n1nnc(n1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15F3N8O/c1-34-17-12-10-16(11-13-17)32-29-21(27-30-32)18-4-2-3-5-19(18)33-28-20(26-31-33)14-6-8-15(9-7-14)22(23,24)25/h2-13H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LKWHCLOWHUAHKD-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