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Name | CHEMBL488255 |
---|---|
Molecular formula | C27H29N5O6 |
IUPAC name | methyl (2S)-2-[5,7-dimethyl-3-[2-[[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-2-oxobenzimidazol-1-yl]propanoate |
Molecular weight | 519.558 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 1.9 |
Synonyms | BDBM50246272 (S)-methyl 2-(5,7-dimethyl-3-(2-((R)-3-methyl-2,5-dioxo-1'',3''-dihydrospiro[imidazolidine-4,2''-indene]-5''-ylamino)-2-oxoethyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propanoate |
Inchi Key | BSJYDQGLLSLMFP-RKOGDMNLSA-N |
Inchi ID | InChI=1S/C27H29N5O6/c1-14-8-15(2)22-20(9-14)31(26(37)32(22)16(3)23(34)38-5)13-21(33)28-19-7-6-17-11-27(12-18(17)10-19)24(35)29-25(36)30(27)4/h6-10,16H,11-13H2,1-5H3,(H,28,33)(H,29,35,36)/t16-,27+/m0/s1 |
PubChem CID | 44563051 |
ChEMBL | CHEMBL488255 |
IUPHAR | N/A |
BindingDB | 50246272 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
31738 | Calcitonin gene-related peptide type 1 receptor | Q16602 | CALCRL | Homo sapiens (Human) | 461 |
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