General Information of the Compound
| Compound ID |
CP0196834
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| Compound Name |
2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C26H24N4O2S
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| Molecular Weight |
456.571
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| Canonical SMILES |
O=C(Nc1ccccc1N1CCNCC1)c1csc(n1)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C26H24N4O2S/c31-25(28-22-8-4-5-9-24(22)30-16-14-27-15-17-30)23-18-33-26(29-23)19-10-12-21(13-11-19)32-20-6-2-1-3-7-20/h1-13,18,27H,14-17H2,(H,28,31)
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| InChIKey |
OUQPMWIHZDHEIU-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