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Name | CHEMBL229715 |
---|---|
Molecular formula | C29H36ClFN4O |
IUPAC name | 3-(3-chloro-4-fluorophenyl)-1-[(3R,6S)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-1-[2-[di(propan-2-yl)amino]ethyl]urea |
Molecular weight | 511.082 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 6.4 |
Synonyms | 3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-(diisopropylamino)ethyl)urea BDBM50215611 SCHEMBL14266061 |
Inchi Key | BLXNLULPHFNVHO-NXRLCEILSA-N |
Inchi ID | InChI=1S/C29H36ClFN4O/c1-19(2)34(20(3)4)12-13-35(28(36)33-24-8-9-27(31)26(30)16-24)25-10-11-29(17-23(29)15-25)22-7-5-6-21(14-22)18-32/h5-9,14,16,19-20,23,25H,10-13,15,17H2,1-4H3,(H,33,36)/t23?,25-,29-/m1/s1 |
PubChem CID | 44424187 |
ChEMBL | CHEMBL229715 |
IUPHAR | N/A |
BindingDB | 50215611 |
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 |
---|---|---|---|---|---|
27083 | Melanin-concentrating hormone receptor 1 | Q8JZL2 | Mchr1 | Mus musculus (Mouse) | 353 |
27084 | Melanin-concentrating hormone receptor 1 | Q99705 | MCHR1 | Homo sapiens (Human) | 422 |
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