General Information of the Compound
| Compound ID |
CP0958990
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| Compound Name |
ethyl 2-((3-(3-methoxy-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)methyl)acrylate
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| Structure |
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| Formula |
C16H16F3N3O3
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| Molecular Weight |
355.316
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| Canonical SMILES |
C=C(Cn1cnc(-c2cc(OC)cc(C(F)(F)F)c2)n1)C(=O)OCC
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| InChI |
InChI=1S/C16H16F3N3O3/c1-4-25-15(23)10(2)8-22-9-20-14(21-22)11-5-12(16(17,18)19)7-13(6-11)24-3/h5-7,9H,2,4,8H2,1,3H3
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| InChIKey |
NRPPGDFFXCTIKK-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