General Information of the Compound
| Compound ID |
CP0543500
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| Compound Name |
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[2-(1-methylimidazol-2-yl)ethynyl]piperidine
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| Structure |
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| Formula |
C19H21N3O3S
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| Molecular Weight |
371.462
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| Canonical SMILES |
Cn1ccnc1C#CC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C19H21N3O3S/c1-21-12-9-20-19(21)5-2-15-6-10-22(11-7-15)26(23,24)17-3-4-18-16(14-17)8-13-25-18/h3-4,9,12,14-15H,6-8,10-11,13H2,1H3
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| InChIKey |
TZWOBICLIJJMKP-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