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Name | CHEMBL263432 |
---|---|
Molecular formula | C53H79N9O9S2 |
IUPAC name | N-(7-aminoheptyl)-1-[(11S,14R,17S,20R,23R)-14-(2-amino-2-oxoethyl)-20-benzyl-23-[(4-ethoxyphenyl)methyl]-13,16,19,22,25-pentaoxo-17-propan-2-yl-7,9-dithia-12,15,18,21,24-pentazaspiro[5.20]hexacosane-11-carbonyl]pyrrolidine-2-carboxamide |
Molecular weight | 1050.39 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 8 |
XlogP | 4.7 |
Synonyms | BDBM50016748 1-[20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzyl)-17-isopropyl-13,16,19,22,25-pentaoxo-7,9-dithia-12,15,18,21,24-pentaaza-spiro[5.20]hexacosane-11-carbonyl]-pyrrolidine-2-carboxylic acid (7-amino-heptyl)-amide |
Inchi Key | SOFCALBWICNNCF-NJVYMIGSSA-N |
Inchi ID | InChI=1S/C53H79N9O9S2/c1-4-71-38-22-20-37(21-23-38)30-39-47(65)58-40(29-36-17-10-8-11-18-36)49(67)61-46(35(2)3)51(69)59-41(31-44(55)63)48(66)60-42(33-72-34-73-53(32-45(64)57-39)24-12-9-13-25-53)52(70)62-28-16-19-43(62)50(68)56-27-15-7-5-6-14-26-54/h8,10-11,17-18,20-23,35,39-43,46H,4-7,9,12-16,19,24-34,54H2,1-3H3,(H2,55,63)(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)/t39-,40-,41-,42-,43?,46+/m1/s1 |
PubChem CID | 44351409 |
ChEMBL | CHEMBL263432 |
IUPHAR | N/A |
BindingDB | 50016748 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
319128 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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