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Name | CHEMBL165554 |
---|---|
Molecular formula | C31H25N3O5S |
IUPAC name | 9-[4-[(2-phenylbenzoyl)amino]benzoyl]-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-2-sulfonic acid |
Molecular weight | 551.617 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 4.4 |
Synonyms | BDBM50125108 N-[4-(2-Sulfo-3,4,5,6-tetrahydro-1H-azepino[4,3,2-cd]indole-6-ylcarbonyl)phenyl]-2-phenylbenzamide 6-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-3,4,5,6-tetrahydro-1H-azepino[4,3,2-cd]indole-2-sulfonic acid SCHEMBL6631849 AUWVYYFTMWCNTN-UHFFFAOYSA-N [ Show all ] |
Inchi Key | AUWVYYFTMWCNTN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H25N3O5S/c35-29(24-11-5-4-10-23(24)20-8-2-1-3-9-20)32-22-17-15-21(16-18-22)31(36)34-19-7-12-25-28-26(13-6-14-27(28)34)33-30(25)40(37,38)39/h1-6,8-11,13-18,33H,7,12,19H2,(H,32,35)(H,37,38,39) |
PubChem CID | 9850567 |
ChEMBL | CHEMBL165554 |
IUPHAR | N/A |
BindingDB | 50125108 |
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 |
---|---|---|---|---|---|
15037 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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