General Information of the Compound
| Compound ID |
CP0430228
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| Compound Name |
7-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline
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| Structure |
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| Formula |
C22H18ClN3O2S
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| Molecular Weight |
423.925
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| Canonical SMILES |
Clc1ccc2c(cn(c2c1)S(=O)(=O)c1ccc2cccnc2c1)C1=CCNCC1
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| InChI |
InChI=1S/C22H18ClN3O2S/c23-17-4-6-19-20(15-7-10-24-11-8-15)14-26(22(19)12-17)29(27,28)18-5-3-16-2-1-9-25-21(16)13-18/h1-7,9,12-14,24H,8,10-11H2
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| InChIKey |
IJFFBHZXPSWFKO-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