General Information of the Compound
| Compound ID |
CP0419999
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| Compound Name |
6-[4-(trifluoromethoxy)phenyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C13H8F3N3O2
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| Molecular Weight |
295.22
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)-c1ccc2n[nH]c(=O)n2c1
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| InChI |
InChI=1S/C13H8F3N3O2/c14-13(15,16)21-10-4-1-8(2-5-10)9-3-6-11-17-18-12(20)19(11)7-9/h1-7H,(H,18,20)
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| InChIKey |
WCKSPUOMUKLNAH-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