General Information of the Compound
| Compound ID |
CP0434788
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| Compound Name |
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C21H26ClN3O3
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| Molecular Weight |
403.91
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| Canonical SMILES |
COc1ccc(NC(=O)CN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1
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| InChI |
InChI=1S/C21H26ClN3O3/c1-27-19-8-4-18(5-9-19)23-21(26)16-25-12-10-24(11-13-25)14-15-28-20-6-2-17(22)3-7-20/h2-9H,10-16H2,1H3,(H,23,26)
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| InChIKey |
JGQBHTKGHWJBJY-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