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Name | CHEMBL166135 |
---|---|
Molecular formula | C31H24ClN3O5S |
IUPAC name | 9-[3-chloro-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 | 586.059 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 5.6 |
Synonyms | BDBM50125107 6-{4-[(Biphenyl-2-carbonyl)-amino]-3-chloro-benzoyl}-3,4,5,6-tetrahydro-1H-azepino[4,3,2-cd]indole-2-sulfonic acid |
Inchi Key | BSYJKVFQOQUJQQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H24ClN3O5S/c32-24-18-20(15-16-25(24)33-29(36)22-11-5-4-10-21(22)19-8-2-1-3-9-19)31(37)35-17-7-12-23-28-26(13-6-14-27(28)35)34-30(23)41(38,39)40/h1-6,8-11,13-16,18,34H,7,12,17H2,(H,33,36)(H,38,39,40) |
PubChem CID | 44377961 |
ChEMBL | CHEMBL166135 |
IUPHAR | N/A |
BindingDB | 50125107 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
32101 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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