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Name | CHEMBL383432 |
---|---|
Molecular formula | C28H33ClF4N4O2 |
IUPAC name | 3-(3-chloro-4-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-[(1S,2R,5S)-5-[4-(trifluoromethoxy)phenyl]-2-bicyclo[3.1.0]hexanyl]urea |
Molecular weight | 569.042 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 5.9 |
Synonyms | BDBM50184946 N''-(3-chloro-4-fluorophenyl)-N-[3-(4-methyl-1-piperazinyl)-propyl]-N-[trans-5-[4-(trifluoromethoxy)phenyl]bicyclo[3.1.0]-hex-2-yl]urea SCHEMBL14265857 |
Inchi Key | CUAOLPFNRIMUNG-AVPJRLCVSA-N |
Inchi ID | InChI=1S/C28H33ClF4N4O2/c1-35-13-15-36(16-14-35)11-2-12-37(26(38)34-20-5-8-24(30)23(29)17-20)25-9-10-27(18-22(25)27)19-3-6-21(7-4-19)39-28(31,32)33/h3-8,17,22,25H,2,9-16,18H2,1H3,(H,34,38)/t22-,25-,27-/m1/s1 |
PubChem CID | 10312052 |
ChEMBL | CHEMBL383432 |
IUPHAR | N/A |
BindingDB | 50184946 |
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 |
---|---|---|---|---|---|
50595 | Melanin-concentrating hormone receptor 1 | Q8JZL2 | Mchr1 | Mus musculus (Mouse) | 353 |
50596 | Melanin-concentrating hormone receptor 1 | Q99705 | MCHR1 | Homo sapiens (Human) | 422 |
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