General Information of the Compound
| Compound ID |
CP0162412
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| Compound Name |
4-({2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl}methyl)-N-methylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C16H19N7OS
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| Molecular Weight |
357.443
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| Canonical SMILES |
CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1
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| InChI |
InChI=1S/C16H19N7OS/c1-18-16(24)23-6-4-22(5-7-23)11-12-2-3-19-14(8-12)21-15-20-10-13(9-17)25-15/h2-3,8,10H,4-7,11H2,1H3,(H,18,24)(H,19,20,21)
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| InChIKey |
NIQLDGOLJPELPM-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