General Information of the Compound
| Compound ID |
CP0383323
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| Compound Name |
2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C18H21N5O2S
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| Molecular Weight |
371.466
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| Canonical SMILES |
O=C(CN1CCN(CCOc2ccc(cc2)C#N)CC1)Nc1nccs1
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| InChI |
InChI=1S/C18H21N5O2S/c19-13-15-1-3-16(4-2-15)25-11-10-22-6-8-23(9-7-22)14-17(24)21-18-20-5-12-26-18/h1-5,12H,6-11,14H2,(H,20,21,24)
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| InChIKey |
XZFMHRYHYJOGKB-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