General Information of the Compound
| Compound ID |
CP0510715
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| Compound Name |
4-[2-Benzo[1,3]dioxol-5-yl-2-(4-chloro-phenyl)-ethyl]-pyridine
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| Structure |
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| Formula |
C20H16ClNO2
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| Molecular Weight |
337.806
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| Canonical SMILES |
Clc1ccc(cc1)C(Cc1ccncc1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C20H16ClNO2/c21-17-4-1-15(2-5-17)18(11-14-7-9-22-10-8-14)16-3-6-19-20(12-16)24-13-23-19/h1-10,12,18H,11,13H2
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| InChIKey |
FEKRQSLXQVPZGO-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