General Information of the Compound
| Compound ID |
CP0515825
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| Compound Name |
1-{3-[2-(4-Chloro-phenoxymethyl)-benzo[b]thiophen-3-yl]-propyl}-piperidine
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| Structure |
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| Formula |
C23H26ClNOS
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| Molecular Weight |
399.987
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| Canonical SMILES |
Clc1ccc(OCc2sc3ccccc3c2CCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C23H26ClNOS/c24-18-10-12-19(13-11-18)26-17-23-21(20-7-2-3-9-22(20)27-23)8-6-16-25-14-4-1-5-15-25/h2-3,7,9-13H,1,4-6,8,14-17H2
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| InChIKey |
RRAPWZWBXONTGN-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