General Information of the Compound
| Compound ID |
CP0549361
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| Compound Name |
2-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C22H12Cl2F3N5O3
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| Molecular Weight |
522.27
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)-c1ccc2nn(Cc3nc(no3)-c3c(Cl)cccc3Cl)c(=O)n2c1
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| InChI |
InChI=1S/C22H12Cl2F3N5O3/c23-15-2-1-3-16(24)19(15)20-28-18(35-30-20)11-32-21(33)31-10-13(6-9-17(31)29-32)12-4-7-14(8-5-12)34-22(25,26)27/h1-10H,11H2
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| InChIKey |
FDRCWVQKOJFPSP-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