General Information of the Compound
| Compound ID |
CP0571306
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| Compound Name |
(4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
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| Structure |
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| Formula |
C17H18ClN3O3
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| Molecular Weight |
347.802
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| Canonical SMILES |
Clc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1
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| InChI |
InChI=1S/C17H18ClN3O3.ClH/c18-13-3-5-15(6-4-13)24-17(22)21-9-8-20-10-14(21)12-23-16-2-1-7-19-11-16;/h1-7,11,14,20H,8-10,12H2;1H
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| InChIKey |
LCDKIFARRBONDA-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