General Information of the Compound
| Compound ID |
CP0953289
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| Compound Name |
sodium 4'-(tert-butylcarbamoyl)-5-(4-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl)biphenyl-3-carboxylate
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| Structure |
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| Formula |
C27H22F3N4NaO3
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| Molecular Weight |
530.482
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccc(-c2cc(C(=O)[O-])cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1.[Na+]
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| InChI |
InChI=1S/C27H23F3N4O3.Na/c1-26(2,3)31-24(35)18-6-4-16(5-7-18)19-12-20(25(36)37)14-22(13-19)34-15-23(32-33-34)17-8-10-21(11-9-17)27(28,29)30;/h4-15H,1-3H3,(H,31,35)(H,36,37);/q;+1/p-1
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| InChIKey |
HPJYMMAIJYSUME-UHFFFAOYSA-M
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound