General Information of the Compound
| Compound ID |
CP0406917
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| Compound Name |
4-[2-(4-Chloro-phenyl)-2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethyl]-pyridine
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| Structure |
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| Formula |
C21H18ClNO2
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| Molecular Weight |
351.833
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| Canonical SMILES |
Clc1ccc(cc1)C(Cc1ccncc1)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C21H18ClNO2/c22-18-4-1-16(2-5-18)19(13-15-7-9-23-10-8-15)17-3-6-20-21(14-17)25-12-11-24-20/h1-10,14,19H,11-13H2
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| InChIKey |
QYKYNAOKCRIEAU-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