General Information of the Compound
| Compound ID |
CP0433523
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| Compound Name |
2-[2-(5-cyano-3-hydroxy-4-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
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| Structure |
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| Formula |
C25H21N5O2S
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| Molecular Weight |
455.543
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| Canonical SMILES |
Cc1c(O)c(ncc1C#N)-c1nc(CC(=O)NCCc2ccccn2)c(s1)-c1ccccc1
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| InChI |
InChI=1S/C25H21N5O2S/c1-16-18(14-26)15-29-22(23(16)32)25-30-20(24(33-25)17-7-3-2-4-8-17)13-21(31)28-12-10-19-9-5-6-11-27-19/h2-9,11,15,32H,10,12-13H2,1H3,(H,28,31)
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| InChIKey |
ICUKKSACAFOILF-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