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Name | 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile |
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Molecular formula | C20H13N3O2 |
IUPAC name | 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile |
Molecular weight | 327.343 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | AC1LS9ME MCULE-7330847183 12-(2-hydroxy-5-methylbenzoyl)-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile Oprea1_833103 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile [ Show all ] |
Inchi Key | DMQIXLDNRATNBD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H13N3O2/c1-12-6-7-18(24)15(8-12)19(25)14-9-13(10-21)20-22-16-4-2-3-5-17(16)23(20)11-14/h2-9,11,24H,1H3 |
PubChem CID | 1484504 |
ChEMBL | CHEMBL1332060 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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63943 | Thyrotropin-releasing hormone receptor | P34981 | TRHR | Homo sapiens (Human) | 398 |
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