General Information of the Compound
| Compound ID |
CP0415931
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| Compound Name |
(4-chlorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;hydrochloride
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| Structure |
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| Formula |
C17H18ClN3O2
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| Molecular Weight |
331.803
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)N1CCNCC1COc1cccnc1
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| InChI |
InChI=1S/C17H18ClN3O2.ClH/c18-14-5-3-13(4-6-14)17(22)21-9-8-20-10-15(21)12-23-16-2-1-7-19-11-16;/h1-7,11,15,20H,8-10,12H2;1H
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| InChIKey |
SGQFZOFXPFNTEQ-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