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Name | SR-02000000331 |
---|---|
Molecular formula | C22H22ClN3O3 |
IUPAC name | [1-(benzylamino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate |
Molecular weight | 411.886 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester MolPort-009-250-684 Z25457335 BDBM79490 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester [ Show all ] |
Inchi Key | CYFZABLBALEVFQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H22ClN3O3/c1-15-19(20(23)26(25-15)14-18-11-7-4-8-12-18)22(28)29-16(2)21(27)24-13-17-9-5-3-6-10-17/h3-12,16H,13-14H2,1-2H3,(H,24,27) |
PubChem CID | 44640170 |
ChEMBL | CHEMBL1724292 |
IUPHAR | N/A |
BindingDB | 79490 |
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 |
---|---|---|---|---|---|
53455 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
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