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Name | NSC697161 |
---|---|
Molecular formula | C26H32Cl2N8O2 |
IUPAC name | 3-[8-[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine |
Molecular weight | 559.496 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 5.9 |
Synonyms | 3-(8-(4-Amino-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-4-ylamine NCI60_034630 3-[8-[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine CHEMBL195841 3,3'-octane-1,8-diylbis{5-[(4-chlorophenoxy)methyl]-4h-1,2,4-triazol-4-amine} [ Show all ] |
Inchi Key | NASDCQVYKOBYIL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H32Cl2N8O2/c27-19-9-13-21(14-10-19)37-17-25-33-31-23(35(25)29)7-5-3-1-2-4-6-8-24-32-34-26(36(24)30)18-38-22-15-11-20(28)12-16-22/h9-16H,1-8,17-18,29-30H2 |
PubChem CID | 394043 |
ChEMBL | CHEMBL195841 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
218723 | G-protein coupled receptor 182 | O15218 | GPR182 | Homo sapiens (Human) | 404 |
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