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Name | BRN 5838753 |
---|---|
Molecular formula | C20H30N6O5S |
IUPAC name | 1-N-[2-(dimethylamino)ethyl]-3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine |
Molecular weight | 466.557 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 3.8 |
Synonyms | BDBM50004653 1,3-Benzenediamine, N-(2-(dimethylamino)ethyl)-N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro- CHEMBL106348 N-(2-Dimethylamino-ethyl)-N''-[2-(5-dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-benzene-1,3-diamine 1-N-(2-dimethylaminoethyl)-3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine [ Show all ] |
Inchi Key | LFSPBUWIBYIALD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H30N6O5S/c1-23(2)9-7-21-17-11-18(20(26(29)30)12-19(17)25(27)28)22-8-10-32-14-16-6-5-15(31-16)13-24(3)4/h5-6,11-12,21-22H,7-10,13-14H2,1-4H3 |
PubChem CID | 3072507 |
ChEMBL | CHEMBL106348 |
IUPHAR | N/A |
BindingDB | 50004653 |
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 |
---|---|---|---|---|---|
186256 | Muscarinic acetylcholine receptor M1 | P12657 | Chrm1 | Mus musculus (Mouse) | 460 |
186257 | Muscarinic acetylcholine receptor M2 | P10980 | Chrm2 | Rattus norvegicus (Rat) | 466 |
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