General Information of the Compound
| Compound ID |
CP0450695
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| Compound Name |
2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C22H20N4OS2
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| Molecular Weight |
420.563
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| Canonical SMILES |
O=C(Nc1ccccc1N1CCNCC1)c1csc(n1)-c1cc2ccccc2s1
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| InChI |
InChI=1S/C22H20N4OS2/c27-21(24-16-6-2-3-7-18(16)26-11-9-23-10-12-26)17-14-28-22(25-17)20-13-15-5-1-4-8-19(15)29-20/h1-8,13-14,23H,9-12H2,(H,24,27)
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| InChIKey |
KSUJCVFPHBXDGE-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