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AZ12971554 , CAS No.A607832, Inhibitor of coagulation factor II; thrombin
Basic Description
| Synonyms | 24QBD6H83I | AZ12971554 | AZ-12971554 | UNII-24QBD6H83I | (5S)-N-((5-Chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl)methyl)-1-((2R)-2-(4-fluorophenyl)-2-hydroxyacetyl)-4,5-dihydro-1H-pyrazole-5-carboxamide | 1201686-45-4 | 1H-Pyrazole-5-carboxamide, N-((5-chloro-2-(1H-tet |
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| Specifications & Purity | Moligand™ |
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| Grade | Moligand™ |
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| Action Type | INHIBITOR |
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| Mechanism of action | Inhibitor of coagulation factor II; thrombin |
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Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (5S)-N-{[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-4,5-dihydro-1H-pyrazole-5-carboxamide |
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| INCHI | InChI=1S/C20H17ClFN7O3/c21-14-3-6-16(28-11-24-26-27-28)13(9-14)10-23-19(31)17-7-8-25-29(17)20(32)18(30)12-1-4-15(22)5-2-12/h1-6,8-9,11,17-18,30H,7,10H2,(H,23,31)/t17-,18+/m0/s1 |
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| InChi Key | GMKHQRCPNMGCIX-ZWKOTPCHSA-N |
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| Canonical SMILES | O=C([C@@H]1CC=NN1C(=O)[C@@H](c1ccc(cc1)F)O)NCc1cc(Cl)ccc1n1cnnn1 |
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| Isomeric SMILES | C1C=NN([C@@H]1C(=O)NCC2=C(C=CC(=C2)Cl)N3C=NN=N3)C(=O)[C@@H](C4=CC=C(C=C4)F)O |
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| PubChem CID | 44537923 |
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