General Information of the Compound
| Compound ID |
CP0523849
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| Compound Name |
3-(3-chlorophenylsulfonyl)-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 |
C20H11ClF3N5O2S2
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| Molecular Weight |
509.922
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc3c(nnn3c3ccsc23)S(=O)(=O)c2cccc(Cl)c2)c1
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| InChI |
InChI=1S/C20H11ClF3N5O2S2/c21-12-4-2-6-14(10-12)33(30,31)19-18-26-17(16-15(7-8-32-16)29(18)28-27-19)25-13-5-1-3-11(9-13)20(22,23)24/h1-10H,(H,25,26)
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| InChIKey |
DMCNNDMJINSLEI-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