General Information of the Compound
| Compound ID |
CP0410380
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17FN6O3S
|
||||||||||||||||||
| Molecular Weight |
452.471
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(CN(C(=O)c2cccnc2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17FN6O3S/c1-32(30,31)19-6-4-14(5-7-19)13-28(21(29)15-3-2-8-23-12-15)18-10-16(9-17(22)11-18)20-24-26-27-25-20/h2-12H,13H2,1H3,(H,24,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTTOZLUOVMKTQU-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