General Information of the Compound
| Compound ID |
CP0953280
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| Compound Name |
triethylamine 4'-(methylcarbamoyl)-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 |
C24H16F3N4NaO3
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| Molecular Weight |
488.401
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| Canonical SMILES |
CNC(=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/C24H17F3N4O3.Na/c1-28-22(32)16-4-2-14(3-5-16)17-10-18(23(33)34)12-20(11-17)31-13-21(29-30-31)15-6-8-19(9-7-15)24(25,26)27;/h2-13H,1H3,(H,28,32)(H,33,34);/q;+1/p-1
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| InChIKey |
KVZHVEWKEBSCQC-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