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Name | CHEMBL475128 |
---|---|
Molecular formula | C27H32F2N4O3 |
IUPAC name | (2S)-1-N-[[4-(5,5-difluoro-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-methylphenyl]methyl]-2-N,2-N-dimethylpyrrolidine-1,2-dicarboxamide |
Molecular weight | 498.575 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | BDBM50246719 1-(4-(5,5-Difluoro-2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)-2-methylbenzylcarbamoyl)-Lproline-N,N-dimethylamide |
Inchi Key | BZKOKCITTQGGFF-QHCPKHFHSA-N |
Inchi ID | InChI=1S/C27H32F2N4O3/c1-18-16-19(24(34)32-15-7-13-27(28,29)21-8-4-5-9-22(21)32)11-12-20(18)17-30-26(36)33-14-6-10-23(33)25(35)31(2)3/h4-5,8-9,11-12,16,23H,6-7,10,13-15,17H2,1-3H3,(H,30,36)/t23-/m0/s1 |
PubChem CID | 25178962 |
ChEMBL | CHEMBL475128 |
IUPHAR | N/A |
BindingDB | 50246719 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
36534 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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