General Information of the Compound
| Compound ID |
CP0400317
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| Compound Name |
2-[4-[2-(3,4-dimethylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C19H26N4O2S
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| Molecular Weight |
374.51
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| Canonical SMILES |
Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1C
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| InChI |
InChI=1S/C19H26N4O2S/c1-15-3-4-17(13-16(15)2)25-11-10-22-6-8-23(9-7-22)14-18(24)21-19-20-5-12-26-19/h3-5,12-13H,6-11,14H2,1-2H3,(H,20,21,24)
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| InChIKey |
IFNKJDBBBUXFDJ-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