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Ro4491533 , CAS No.579482-31-8, Allosteric modulator of mGlu 2 receptor;Allosteric modulator of mGlu 3 receptor
Basic Description
| Synonyms | RO4491533|Ro-4491533|579482-31-8|HF59BT62UG|UNII-HF59BT62UG|CHEMBL1629855|4-[3-(2,6-dimethylpyridin-4-yl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one|2H-1,5-Benzodiazepin-2-one, 4-(3-(2,6-dimethyl-4-pyridinyl)phenyl)-1,3-dihydr |
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| Specifications & Purity | Moligand™ |
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| Grade | Moligand™ |
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| Action Type | ALLOSTERIC MODULATOR |
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| Mechanism of action | Allosteric modulator of mGlu 2 receptor;Allosteric modulator of mGlu 3 receptor |
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Names and Identifiers
| IUPAC Name | 4-[3-(2,6-dimethylpyridin-4-yl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one |
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| INCHI | InChI=1S/C24H20F3N3O/c1-13-7-21-22(11-19(13)24(25,26)27)30-23(31)12-20(29-21)17-6-4-5-16(10-17)18-8-14(2)28-15(3)9-18/h4-11H,12H2,1-3H3,(H,30,31) |
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| InChi Key | LYTVXCQQTLUEQR-UHFFFAOYSA-N |
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| Canonical SMILES | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C |
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| Isomeric SMILES | CC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CC(=NC(=C4)C)C |
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| PubChem CID | 11158623 |
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