General Information of the Compound
| Compound ID |
CP0166123
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| Compound Name |
N-(4-chlorophenyl)-4-[2-(quinolin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C21H16ClN3OS
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| Molecular Weight |
393.899
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| Canonical SMILES |
Clc1ccc(NC(=O)c2scnc2CCc2ccc3ccccc3n2)cc1
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| InChI |
InChI=1S/C21H16ClN3OS/c22-15-6-9-17(10-7-15)25-21(26)20-19(23-13-27-20)12-11-16-8-5-14-3-1-2-4-18(14)24-16/h1-10,13H,11-12H2,(H,25,26)
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| InChIKey |
CVCPCRLEQDZTSL-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