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Name | BDBM67234 |
---|---|
Molecular formula | C19H17ClN2O4 |
IUPAC name | methyl 5-[(4-chlorophenyl)-hydroxymethyl]-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate |
Molecular weight | 372.805 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.5 |
Synonyms | 5-(4-chlorobenzoyl)-4-(4-methoxyphenyl)-2-pyrazoline-3-carboxylic acid methyl ester cid_4691872 methyl 3-(4-chlorophenyl)carbonyl-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate 3-[(4-chlorophenyl)-oxomethyl]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid methyl ester |
Inchi Key | CPBULYPIENLSMT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H17ClN2O4/c1-25-14-9-5-11(6-10-14)15-16(21-22-17(15)19(24)26-2)18(23)12-3-7-13(20)8-4-12/h3-10,18,23H,1-2H3,(H,21,22) |
PubChem CID | 91897666 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 67234 |
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 |
---|---|---|---|---|---|
47215 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
47214 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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