General Information of the Compound
| Compound ID |
CP0480556
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| Compound Name |
1-(2-methylpropylsulfonyl)-5-pyridin-3-yl-2,3-dihydroindole
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| Structure |
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| Formula |
C17H20N2O2S
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| Molecular Weight |
316.426
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| Canonical SMILES |
CC(C)CS(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
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| InChI |
InChI=1S/C17H20N2O2S/c1-13(2)12-22(20,21)19-9-7-15-10-14(5-6-17(15)19)16-4-3-8-18-11-16/h3-6,8,10-11,13H,7,9,12H2,1-2H3
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| InChIKey |
KDJPRGQIMMVGDQ-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