General Information of the Compound
| Compound ID |
CP0434370
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| Compound Name |
2-{3-[2-(4-Dimethylamino-piperidin-1-yl)-ethyl]-benzo[b]thiophen-2-ylmethoxy}-benzaldehyde
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| Structure |
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| Formula |
C25H30N2O2S
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| Molecular Weight |
422.594
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3ccccc3C=O)sc3ccccc23)CC1
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| InChI |
InChI=1S/C25H30N2O2S/c1-26(2)20-11-14-27(15-12-20)16-13-22-21-8-4-6-10-24(21)30-25(22)18-29-23-9-5-3-7-19(23)17-28/h3-10,17,20H,11-16,18H2,1-2H3
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| InChIKey |
HKSQRNORMIJZJN-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