General Information of the Compound
| Compound ID |
CP0409896
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| Compound Name |
2-(1-benzothiophen-2-yl)-N-(4-piperazin-1-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C21H19N5OS2
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| Molecular Weight |
421.551
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| Canonical SMILES |
O=C(Nc1cnccc1N1CCNCC1)c1csc(n1)-c1cc2ccccc2s1
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| InChI |
InChI=1S/C21H19N5OS2/c27-20(24-15-12-23-6-5-17(15)26-9-7-22-8-10-26)16-13-28-21(25-16)19-11-14-3-1-2-4-18(14)29-19/h1-6,11-13,22H,7-10H2,(H,24,27)
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| InChIKey |
ODOVYJKTSPVTPU-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