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Name | 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide |
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Molecular formula | C21H18ClNO3S2 |
IUPAC name | 2-chloro-N-[4-(4-methylphenyl)sulfanylphenyl]-4-methylsulfonylbenzamide |
Molecular weight | 431.949 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | MLS000546304 8G-417S SMR000169474 KS-00003E9P MolPort-002-879-733 [ Show all ] |
Inchi Key | GMJYCZAISZWUBW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H18ClNO3S2/c1-14-3-7-16(8-4-14)27-17-9-5-15(6-10-17)23-21(24)19-12-11-18(13-20(19)22)28(2,25)26/h3-13H,1-2H3,(H,23,24) |
PubChem CID | 1486264 |
ChEMBL | CHEMBL1388862 |
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 |
---|---|---|---|---|---|
99968 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
475251 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
99965 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
99967 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
99966 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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