General Information of the Compound
| Compound ID |
CP0960134
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| Compound Name |
(Z)-pyridin-2-ylmethyl 3-(3-(3-isopropoxy-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C21H19F3N4O3
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| Molecular Weight |
432.402
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| Canonical SMILES |
CC(C)Oc1cc(-c2ncn(/C=C\C(=O)OCc3ccccn3)n2)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C21H19F3N4O3/c1-14(2)31-18-10-15(9-16(11-18)21(22,23)24)20-26-13-28(27-20)8-6-19(29)30-12-17-5-3-4-7-25-17/h3-11,13-14H,12H2,1-2H3/b8-6-
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| InChIKey |
FOCYRGHXVRQHQV-VURMDHGXSA-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