General Information of the Compound
| Compound ID |
CP0399164
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| Compound Name |
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C17H21ClN4O2S
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| Molecular Weight |
380.901
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| Canonical SMILES |
Clc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1
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| InChI |
InChI=1S/C17H21ClN4O2S/c18-14-3-1-2-4-15(14)24-11-10-21-6-8-22(9-7-21)13-16(23)20-17-19-5-12-25-17/h1-5,12H,6-11,13H2,(H,19,20,23)
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| InChIKey |
BQKOISWAMGGQNB-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