General Information of the Compound
| Compound ID |
CP0434926
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| Compound Name |
1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3H-[1,2]thiazolo[3,4-b]pyridine 2,2-dioxide
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| Structure |
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| Formula |
C21H13F6N5O2S2
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| Molecular Weight |
545.49
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| Canonical SMILES |
Cc1cc(c2CS(=O)(=O)N(c2n1)c1ccc(cc1C(F)(F)F)C(F)(F)F)-n1ccc(n1)-c1nccs1
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| InChI |
InChI=1S/C21H13F6N5O2S2/c1-11-8-17(31-6-4-15(30-31)19-28-5-7-35-19)13-10-36(33,34)32(18(13)29-11)16-3-2-12(20(22,23)24)9-14(16)21(25,26)27/h2-9H,10H2,1H3
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| InChIKey |
AQBSWKMODLRFGN-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