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Name | BRN 5841166 |
---|---|
Molecular formula | C22H26N6O5S |
IUPAC name | 1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine |
Molecular weight | 486.547 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 4.2 |
Synonyms | 1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-N''-pyridin-2-ylmethyl-benzene-1,3-diamine BDBM50004654 CHEMBL106344 N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-(2-pyridinylmethyl)benzene-1,5-diamine [ Show all ] |
Inchi Key | IBNAPGSCYPCZRO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H26N6O5S/c1-26(2)14-17-6-7-18(33-17)15-34-10-9-24-19-11-20(25-13-16-5-3-4-8-23-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-15H2,1-2H3 |
PubChem CID | 3072518 |
ChEMBL | CHEMBL106344 |
IUPHAR | N/A |
BindingDB | 50004654 |
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 |
---|---|---|---|---|---|
129231 | Muscarinic acetylcholine receptor M1 | P12657 | Chrm1 | Mus musculus (Mouse) | 460 |
129232 | Muscarinic acetylcholine receptor M2 | P10980 | Chrm2 | Rattus norvegicus (Rat) | 466 |
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