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Name | CHEMBL600480 |
---|---|
Molecular formula | C29H22Cl5N7O |
IUPAC name | [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazol-3-yl]-[4-(2,3-dichlorophenyl)piperazin-1-yl]methanone |
Molecular weight | 661.793 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 7.8 |
Synonyms | BDBM50310026 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazol-3-yl)(4-(2,3-dichlorophenyl)piperazin-1-yl)methanone |
Inchi Key | ARIZXJMCKDVHLG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H22Cl5N7O/c30-19-6-4-18(5-7-19)28-21(15-40-17-35-16-36-40)27(37-41(28)24-9-8-20(31)14-23(24)33)29(42)39-12-10-38(11-13-39)25-3-1-2-22(32)26(25)34/h1-9,14,16-17H,10-13,15H2 |
PubChem CID | 46231017 |
ChEMBL | CHEMBL600480 |
IUPHAR | N/A |
BindingDB | 50310026 |
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 |
---|---|---|---|---|---|
12511 | Cannabinoid receptor 1 | P20272 | Cnr1 | Rattus norvegicus (Rat) | 473 |
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