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Name | CHEMBL2028956 |
---|---|
Molecular formula | C36H52F7N5O7 |
IUPAC name | (2S,5R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-ethylpiperazine-2-carboxamide;2,2,2-trifluoroacetic acid |
Molecular weight | 799.829 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 6 |
XlogP | None |
Synonyms | BDBM50027173 |
Inchi Key | CCLYNCOQSZYJOF-ZRTVKXBHSA-N |
Inchi ID | InChI=1S/C32H50FN5O3.2C2HF3O2/c1-5-25-20-35-27(21-34-25)28(39)36-26(19-22-11-13-24(33)14-12-22)29(40)38-17-15-32(16-18-38,23-9-7-6-8-10-23)30(41)37-31(2,3)4;2*3-2(4,5)1(6)7/h11-14,23,25-27,34-35H,5-10,15-21H2,1-4H3,(H,36,39)(H,37,41);2*(H,6,7)/t25-,26-,27+;;/m1../s1 |
PubChem CID | 70692049 |
ChEMBL | CHEMBL2028956 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
38731 | Melanocortin receptor 3 | P41968 | MC3R | Homo sapiens (Human) | 323 |
38733 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
38732 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
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