General Information of the Compound
| Compound ID |
CP0467347
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| Compound Name |
(1-{2-[2-(2,4-Dimethyl-phenoxymethyl)-benzo[b]thiophen-3-yl]-ethyl}-piperidin-4-yl)-dimethyl-amine
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| Structure |
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| Formula |
C26H34N2OS
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| Molecular Weight |
422.638
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3ccc(C)cc3C)sc3ccccc23)CC1
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| InChI |
InChI=1S/C26H34N2OS/c1-19-9-10-24(20(2)17-19)29-18-26-23(22-7-5-6-8-25(22)30-26)13-16-28-14-11-21(12-15-28)27(3)4/h5-10,17,21H,11-16,18H2,1-4H3
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| InChIKey |
VJFNSBCFBVLQDV-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