General Information of the Compound
| Compound ID |
CP0474413
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| Compound Name |
2-(benzyloxy)-1-(4-(thiazol-2-yl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C16H19N3O2S
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| Molecular Weight |
317.414
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| Canonical SMILES |
O=C(COCc1ccccc1)N1CCN(CC1)c1nccs1
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| InChI |
InChI=1S/C16H19N3O2S/c20-15(13-21-12-14-4-2-1-3-5-14)18-7-9-19(10-8-18)16-17-6-11-22-16/h1-6,11H,7-10,12-13H2
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| InChIKey |
HRBXYFQZJNUCLM-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