General Information of the Compound
| Compound ID |
CP0475427
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| Compound Name |
3-(phenylsulfonyl)-N-(3-(trifluoromethyl)phenyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C20H12F3N5O2S2
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| Molecular Weight |
475.477
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc3c(nnn3c3ccsc23)S(=O)(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C20H12F3N5O2S2/c21-20(22,23)12-5-4-6-13(11-12)24-17-16-15(9-10-31-16)28-18(25-17)19(26-27-28)32(29,30)14-7-2-1-3-8-14/h1-11H,(H,24,25)
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| InChIKey |
HIMHHXSFOQQWMD-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