General Information of the Compound
| Compound ID |
CP0953293
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| Compound Name |
ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2H-tetrazol-2-yl)methyl)acrylate
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| Structure |
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| Formula |
C14H13F3N4O2
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| Molecular Weight |
326.278
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| Canonical SMILES |
C=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)C(=O)OCC
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| InChI |
InChI=1S/C14H13F3N4O2/c1-3-23-13(22)9(2)8-21-19-12(18-20-21)10-5-4-6-11(7-10)14(15,16)17/h4-7H,2-3,8H2,1H3
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| InChIKey |
NECFPPCVDYWRAR-UHFFFAOYSA-N
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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