General Information of the Compound
| Compound ID |
CP0930885
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| Compound Name |
3-[3-(3-Chloro-5-fluoro-phenyl)-[1,2,4]triazol-1-yl]-acrylic acid ethyl ester
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| Structure |
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| Formula |
C13H11ClFN3O2
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| Molecular Weight |
295.701
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| Canonical SMILES |
CCOC(=O)/C=C/n1cnc(-c2cc(F)cc(Cl)c2)n1
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| InChI |
InChI=1S/C13H11ClFN3O2/c1-2-20-12(19)3-4-18-8-16-13(17-18)9-5-10(14)7-11(15)6-9/h3-8H,2H2,1H3/b4-3+
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| InChIKey |
BAJXBZFRMXCBSA-ONEGZZNKSA-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