General Information of the Compound
| Compound ID |
CP0945325
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| Compound Name |
(Z)-isopropyl 3-(3-(3-(methylsulfonyl)-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C16H16F3N3O4S
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| Molecular Weight |
403.382
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| Canonical SMILES |
CC(C)OC(=O)/C=C\n1cnc(-c2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)n1
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| InChI |
InChI=1S/C16H16F3N3O4S/c1-10(2)26-14(23)4-5-22-9-20-15(21-22)11-6-12(16(17,18)19)8-13(7-11)27(3,24)25/h4-10H,1-3H3/b5-4-
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| InChIKey |
IXVLTXDSDURRDF-PLNGDYQASA-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