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Name | AC1MJLIS |
---|---|
Molecular formula | C22H26Cl2N4O2 |
IUPAC name | N-cyclohexyl-N'-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]propanediamide |
Molecular weight | 449.376 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 5.4 |
Synonyms | MCULE-4294670057 N-cyclohexyl-N'-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]propanediamide HMS2439P04 |
Inchi Key | ABFWCJHIHKBIMJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H26Cl2N4O2/c1-14-10-16(15(2)28(14)18-8-9-19(23)20(24)11-18)13-25-27-22(30)12-21(29)26-17-6-4-3-5-7-17/h8-11,13,17H,3-7,12H2,1-2H3,(H,26,29)(H,27,30) |
PubChem CID | 3139294 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 96906 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
815 | Trace amine-associated receptor 1 | Q96RJ0 | TAAR1 | Homo sapiens (Human) | 339 |
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