General Information of the Compound
| Compound ID |
CP0551323
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| Compound Name |
(1-{2-[2-(2-Allyl-phenoxymethyl)-benzo[b]thiophen-3-yl]-ethyl}-piperidin-4-yl)-dimethyl-amine
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| Structure |
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| Formula |
C27H34N2OS
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| Molecular Weight |
434.649
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3ccccc3CC=C)sc3ccccc23)CC1
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| InChI |
InChI=1S/C27H34N2OS/c1-4-9-21-10-5-7-12-25(21)30-20-27-24(23-11-6-8-13-26(23)31-27)16-19-29-17-14-22(15-18-29)28(2)3/h4-8,10-13,22H,1,9,14-20H2,2-3H3
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| InChIKey |
FYIYSCHMWQYQEC-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