General Information of the Compound
| Compound ID |
CP0139382
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-chloro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19ClF3N5O2
|
||||||||||||||||||
| Molecular Weight |
453.852
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(c1)-c1nnn[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19ClF3N5O2/c1-2-3-4-18(30)29(12-13-5-7-17(8-6-13)31-20(22,23)24)16-10-14(9-15(21)11-16)19-25-27-28-26-19/h5-11H,2-4,12H2,1H3,(H,25,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFFIIHASYUWNJI-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