General Information of the Compound
| Compound ID |
CP0417694
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| Compound Name |
8-chloro-7-[4-(2,6-dimethylpyridin-3-yl)oxy-3-fluorophenyl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C21H15ClF4N4O
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| Molecular Weight |
450.823
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| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2F)-c2ccn3c(CC(F)(F)F)nnc3c2Cl)c(C)n1
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| InChI |
InChI=1S/C21H15ClF4N4O/c1-11-3-5-16(12(2)27-11)31-17-6-4-13(9-15(17)23)14-7-8-30-18(10-21(24,25)26)28-29-20(30)19(14)22/h3-9H,10H2,1-2H3
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| InChIKey |
HNBRTQIXHACHHR-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