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Name | N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-4-nitro-1-methyl-1H-pyrazole-5-carboxamide |
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Molecular formula | C17H13F5N6O3 |
IUPAC name | N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-2-methyl-4-nitropyrazole-3-carboxamide |
Molecular weight | 444.322 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 2.4 |
Synonyms | MLS000538684 AKOS003986613 N-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide HMS2445H03 STL399066 [ Show all ] |
Inchi Key | AGKVLSWEBIASFU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H13F5N6O3/c1-6-15(24-17(29)16-9(28(30)31)4-23-26(16)3)7(2)27(25-6)5-8-10(18)12(20)14(22)13(21)11(8)19/h4H,5H2,1-3H3,(H,24,29) |
PubChem CID | 1768056 |
ChEMBL | CHEMBL1332069 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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463488 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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