General Information of the Compound
| Compound ID |
CP0428132
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| Compound Name |
2-Isopropyl-5-(4-methanesulfonyl-phenyl)-6-phenyl-thiazolo[3,2-b][1,2,4]triazole
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| Structure |
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| Formula |
C20H19N3O2S2
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| Molecular Weight |
397.525
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| Canonical SMILES |
CC(C)c1nc2sc(c(-c3ccccc3)n2n1)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H19N3O2S2/c1-13(2)19-21-20-23(22-19)17(14-7-5-4-6-8-14)18(26-20)15-9-11-16(12-10-15)27(3,24)25/h4-13H,1-3H3
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| InChIKey |
UTRQPUXKRUOGHK-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
Protein ID: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2