General Information of the Compound
| Compound ID |
CP0396922
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| Compound Name |
2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride
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| Structure |
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| Formula |
C18H20ClN3O2
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| Molecular Weight |
345.83
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| Canonical SMILES |
Clc1ccc(CC(=O)N2CCNCC2COc2cccnc2)cc1
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| InChI |
InChI=1S/C18H20ClN3O2.ClH/c19-15-5-3-14(4-6-15)10-18(23)22-9-8-21-11-16(22)13-24-17-2-1-7-20-12-17;/h1-7,12,16,21H,8-11,13H2;1H
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| InChIKey |
IDIVLLSKLUTDHS-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