General Information of the Compound
| Compound ID |
CP0961575
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| Compound Name |
sodium 4'-(ethylcarbamoyl)-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 |
C25H18F3N4NaO3
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| Molecular Weight |
502.428
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| Canonical SMILES |
CCNC(=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/C25H19F3N4O3.Na/c1-2-29-23(33)17-5-3-15(4-6-17)18-11-19(24(34)35)13-21(12-18)32-14-22(30-31-32)16-7-9-20(10-8-16)25(26,27)28;/h3-14H,2H2,1H3,(H,29,33)(H,34,35);/q;+1/p-1
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| InChIKey |
HUSSHFSBEDTSLR-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