General Information of the Compound
| Compound ID |
CP0144563
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| Compound Name |
2-[(4-{[4-(2-hydroxyacetyl)piperazin-1-yl]methyl}pyridin-2-yl)amino]-1,3-thiazole-5-carbonitrile
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| Structure |
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| Formula |
C16H18N6O2S
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| Molecular Weight |
358.427
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| Canonical SMILES |
OCC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1
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| InChI |
InChI=1S/C16H18N6O2S/c17-8-13-9-19-16(25-13)20-14-7-12(1-2-18-14)10-21-3-5-22(6-4-21)15(24)11-23/h1-2,7,9,23H,3-6,10-11H2,(H,18,19,20)
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| InChIKey |
WUAWDHDGRGQQSS-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