General Information of the Compound
| Compound ID |
CP0431873
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| Compound Name |
5-[3-(2-chlorophenyl)pyridin-4-yl]-N-ethyl-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C16H14ClN3S
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| Molecular Weight |
315.829
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| Canonical SMILES |
CCNc1ncc(s1)-c1ccncc1-c1ccccc1Cl
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| InChI |
InChI=1S/C16H14ClN3S/c1-2-19-16-20-10-15(21-16)12-7-8-18-9-13(12)11-5-3-4-6-14(11)17/h3-10H,2H2,1H3,(H,19,20)
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| InChIKey |
ACINXGSHIIUUEF-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