General Information of the Compound
| Compound ID |
CP0419338
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| Compound Name |
2-[4-[2-(4-tert-butylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C21H30N4O2S
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| Molecular Weight |
402.564
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| Canonical SMILES |
CC(C)(C)c1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1
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| InChI |
InChI=1S/C21H30N4O2S/c1-21(2,3)17-4-6-18(7-5-17)27-14-13-24-9-11-25(12-10-24)16-19(26)23-20-22-8-15-28-20/h4-8,15H,9-14,16H2,1-3H3,(H,22,23,26)
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| InChIKey |
NIJFUZXPXGSSOE-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