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Name | CHEMBL2182037 |
---|---|
Molecular formula | C29H29N5O5S |
IUPAC name | [(1R)-1-phenylethyl] N-[5-methyl-3-[4-[4-[1-(methylsulfonylcarbamoyl)cyclopropyl]phenyl]phenyl]triazol-4-yl]carbamate |
Molecular weight | 559.641 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 4.3 |
Synonyms | {3-[4'-(1-methanesulfonylaminocarbonyl-cyclopropyl)-biphenyl-4-yl]-5-methyl-3H-[1,2,3]triazol-4-yl}-carbamic acid (R)-1-phenyl-ethyl ester BDBM50398116 FJLBJDCQCPHBIU-HXUWFJFHSA-N SCHEMBL16707819 |
Inchi Key | FJLBJDCQCPHBIU-HXUWFJFHSA-N |
Inchi ID | InChI=1S/C29H29N5O5S/c1-19-26(30-28(36)39-20(2)21-7-5-4-6-8-21)34(33-31-19)25-15-11-23(12-16-25)22-9-13-24(14-10-22)29(17-18-29)27(35)32-40(3,37)38/h4-16,20H,17-18H2,1-3H3,(H,30,36)(H,32,35)/t20-/m1/s1 |
PubChem CID | 71450322 |
ChEMBL | CHEMBL2182037 |
IUPHAR | N/A |
BindingDB | 50398116 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
79844 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
79843 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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