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Name | CHEMBL165200 |
---|---|
Molecular formula | C43H44ClN5O2 |
IUPAC name | N-[3-chloro-4-[9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide |
Molecular weight | 698.308 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 7.3 |
Synonyms | Biphenyl-2-carboxylic acid [4-(3-[1,4'']bipiperidinyl-1''-ylmethyl-5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-3-chloro-phenyl]-amide N-[3-Chloro-4-[3-(4-piperidinopiperidinomethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-10-ylcarbonyl]phenyl]biphenyl-2-carboxamide BDBM50087675 |
Inchi Key | BAZKFNFCVFOMJT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C43H44ClN5O2/c44-40-27-33(45-42(50)38-15-7-6-14-37(38)31-11-3-1-4-12-31)17-20-39(40)43(51)49-30-36-19-18-35(48(36)28-32-13-5-8-16-41(32)49)29-46-25-21-34(22-26-46)47-23-9-2-10-24-47/h1,3-8,11-20,27,34H,2,9-10,21-26,28-30H2,(H,45,50) |
PubChem CID | 44378703 |
ChEMBL | CHEMBL165200 |
IUPHAR | N/A |
BindingDB | 50087675 |
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 |
---|---|---|---|---|---|
19323 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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