General Information of the Compound
| Compound ID |
CP0141416
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| Compound Name |
2-({4-[(4-acetylpiperazin-1-yl)methyl]pyridin-2-yl}amino)-1,3-thiazole-5-carbonitrile
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| Structure |
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| Formula |
C16H18N6OS
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| Molecular Weight |
342.428
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| Canonical SMILES |
CC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1
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| InChI |
InChI=1S/C16H18N6OS/c1-12(23)22-6-4-21(5-7-22)11-13-2-3-18-15(8-13)20-16-19-10-14(9-17)24-16/h2-3,8,10H,4-7,11H2,1H3,(H,18,19,20)
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| InChIKey |
XDYCIZMIODKDCK-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