General Information of the Compound
| Compound ID |
CP0415201
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| Compound Name |
N,N-dimethyl-1-[2-[2-(phenoxymethyl)-1-benzothiophen-3-yl]ethyl]piperidin-4-amine
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| Structure |
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| Formula |
C24H30N2OS
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| Molecular Weight |
394.584
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3ccccc3)sc3ccccc23)CC1
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| InChI |
InChI=1S/C24H30N2OS/c1-25(2)19-12-15-26(16-13-19)17-14-22-21-10-6-7-11-23(21)28-24(22)18-27-20-8-4-3-5-9-20/h3-11,19H,12-18H2,1-2H3
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| InChIKey |
UGINOMBYYXAJGN-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