General Information of the Compound
| Compound ID |
CP0431575
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| Compound Name |
1-Benzenesulfonyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
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| Structure |
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| Formula |
C20H20N2O2S
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| Molecular Weight |
352.459
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| Canonical SMILES |
CN1CCC(=CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H20N2O2S/c1-21-13-11-16(12-14-21)19-15-22(20-10-6-5-9-18(19)20)25(23,24)17-7-3-2-4-8-17/h2-11,15H,12-14H2,1H3
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| InChIKey |
NGYQNOJBJMUUDF-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