General Information of the Compound
| Compound ID |
CP0511577
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| Compound Name |
1-[2-(4-Chloro-phenoxymethyl)-benzo[b]thiophen-3-ylmethyl]-piperidine
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| Structure |
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| Formula |
C21H22ClNOS
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| Molecular Weight |
371.933
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| Canonical SMILES |
Clc1ccc(OCc2sc3ccccc3c2CN2CCCCC2)cc1
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| InChI |
InChI=1S/C21H22ClNOS/c22-16-8-10-17(11-9-16)24-15-21-19(14-23-12-4-1-5-13-23)18-6-2-3-7-20(18)25-21/h2-3,6-11H,1,4-5,12-15H2
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| InChIKey |
YIFFWUWGIPXPGW-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