General Information of the Compound
| Compound ID |
CP0083110
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| Compound Name |
N-(Aryl)-thiazole-5-carboxamide 27
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| Structure |
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| Formula |
C18H13ClF3N3OS
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| Molecular Weight |
411.836
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)c2scnc2CCc2ccncc2)ccc1Cl
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| InChI |
InChI=1S/C18H13ClF3N3OS/c19-14-3-2-12(9-13(14)18(20,21)22)25-17(26)16-15(24-10-27-16)4-1-11-5-7-23-8-6-11/h2-3,5-10H,1,4H2,(H,25,26)
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| InChIKey |
OOSJKYVNWICOCS-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