General Information of the Compound
| Compound ID |
CP0491182
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| Compound Name |
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
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| Structure |
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| Formula |
C23H22N2O
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| Molecular Weight |
342.442
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| Canonical SMILES |
C(Cc1coc2ccccc12)N1CCC(=CC1)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C23H22N2O/c1-3-7-22-20(6-1)21(15-24-22)17-9-12-25(13-10-17)14-11-18-16-26-23-8-4-2-5-19(18)23/h1-9,15-16,24H,10-14H2
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| InChIKey |
XADLWMQBIFTFBT-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