General Information of the Compound
| Compound ID |
CP0113868
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| Compound Name |
3-(3,4-dimethylphenylsulfonyl)-N-(4-fluorobenzyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C22H18FN5O2S2
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| Molecular Weight |
467.551
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| Canonical SMILES |
Cc1ccc(cc1C)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccc(F)cc3)nc12
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| InChI |
InChI=1S/C22H18FN5O2S2/c1-13-3-8-17(11-14(13)2)32(29,30)22-21-25-20(24-12-15-4-6-16(23)7-5-15)19-18(9-10-31-19)28(21)27-26-22/h3-11H,12H2,1-2H3,(H,24,25)
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| InChIKey |
PEYLBXYDKPMOJW-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