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Name | N-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazole-4-carboxamide |
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Molecular formula | C22H19F6N3OS |
IUPAC name | N-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazole-4-carboxamide |
Molecular weight | 487.464 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 5.9 |
Synonyms | 3F-315S MLS000325851 N-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazole-4-carboxamide KS-000035CJ ZINC3128566 [ Show all ] |
Inchi Key | AEYJCFPXVJRTGQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H19F6N3OS/c1-12-7-8-16(9-13(12)2)29-19(32)17-18(22(26,27)28)30-31(3)20(17)33-11-14-5-4-6-15(10-14)21(23,24)25/h4-10H,11H2,1-3H3,(H,29,32) |
PubChem CID | 3812674 |
ChEMBL | CHEMBL1420206 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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3956 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
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