General Information of the Compound
| Compound ID |
CP0507613
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| Compound Name |
1-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]piperidine
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| Structure |
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| Formula |
C18H23Cl2N3O2
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| Molecular Weight |
384.307
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| Canonical SMILES |
Clc1ccc(cc1Cl)-n1ccc(OCCOCCN2CCCCC2)n1
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| InChI |
InChI=1S/C18H23Cl2N3O2/c19-16-5-4-15(14-17(16)20)23-9-6-18(21-23)25-13-12-24-11-10-22-7-2-1-3-8-22/h4-6,9,14H,1-3,7-8,10-13H2
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| InChIKey |
AILGBBRMXHWWAF-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