General Information of the Compound
| Compound ID |
CP0171305
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| Compound Name |
N-(4-bromophenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C17H14BrN3OS
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| Molecular Weight |
388.29
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| Canonical SMILES |
Brc1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1
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| InChI |
InChI=1S/C17H14BrN3OS/c18-13-2-4-14(5-3-13)21-17(22)16-15(20-11-23-16)6-1-12-7-9-19-10-8-12/h2-5,7-11H,1,6H2,(H,21,22)
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| InChIKey |
INSHFSYSJAHGNC-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