basic_info |
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| Product_Name: | 3-HYDROXY-4-[[4-[6-[[2-HYDROXY-3-[[(4-METHYLPHENYL)AMINO]CARBONYL]-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-N-(4-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE |
| CAS: | 90053-95-5 |
| EnglishSynonyms: | 3-HYDROXY-4-[[4-[6-[[2-HYDROXY-3-[[(4-METHYLPHENYL)AMINO]CARBONYL]-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-N-(4-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE |
| pro_mdlNumber: | MFCD12198376 |
| pro_acceptors: | 12 |
| pro_donors: | 4 |
| pro_smile: | Cc1ccc(cc1)NC(=O)c2cc3ccccc3c(c2O)/N=N/c4ccc(cc4)c5nc6ccc(cc6o5)/N=N/c7c8ccccc8cc(c7O)C(=O)Nc9ccc(cc9)C |
| InChi: | InChI=1S/C49H35N7O5/c1-28-11-17-33(18-12-28)50-47(59)39-25-31-7-3-5-9-37(31)43(45(39)57)55-53-35-21-15-30(16-22-35)49-52-41-24-23-36(27-42(41)61-49)54-56-44-38-10-6-4-8-32(38)26-40(46(44)58)48(60)51-34-19-13-29(2)14-20-34/h3-27,57-58H,1-2H3,(H,50,59)(H,51,60)/b55-53+,56-54+ |
| InChiKey: | InChIKey=HYVHENIQJSCXQO-DSZBTAPASA-N |
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