General Information of the Compound
| Compound ID |
CP0461792
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| Compound Name |
8-chloro-7-[4-(2,6-dimethylpyridin-3-yl)oxy-3-fluorophenyl]-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C22H20ClFN4O2
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| Molecular Weight |
426.879
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| Canonical SMILES |
CCOCc1nnc2c(Cl)c(ccn12)-c1ccc(Oc2ccc(C)nc2C)c(F)c1
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| InChI |
InChI=1S/C22H20ClFN4O2/c1-4-29-12-20-26-27-22-21(23)16(9-10-28(20)22)15-6-8-19(17(24)11-15)30-18-7-5-13(2)25-14(18)3/h5-11H,4,12H2,1-3H3
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| InChIKey |
VJDFNJSIGRMOSP-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