General Information of the Compound
| Compound ID |
CP0307074
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| Compound Name |
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(4-methoxyphenyl)-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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| Structure |
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| Formula |
C21H17FN6OS
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| Molecular Weight |
420.473
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| Canonical SMILES |
COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H17FN6OS/c1-12-19(14-5-9-16(29-2)10-6-14)27-28-20(25-26-21(28)30-12)18-11-17(23-24-18)13-3-7-15(22)8-4-13/h3-12H,1-2H3,(H,23,24)
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| InChIKey |
TZGVQABFOBPYPG-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