General Information of the Compound
| Compound ID |
CP0411088
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| Compound Name |
8-(1-(piperidin-3-yl)-1H-indol-3-ylsulfonyl)quinoline
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| Structure |
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| Formula |
C22H21N3O2S
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| Molecular Weight |
391.496
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| Canonical SMILES |
O=S(=O)(c1cn(C2CCCNC2)c2ccccc12)c1cccc2cccnc12
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| InChI |
InChI=1S/C22H21N3O2S/c26-28(27,20-11-3-6-16-7-4-13-24-22(16)20)21-15-25(17-8-5-12-23-14-17)19-10-2-1-9-18(19)21/h1-4,6-7,9-11,13,15,17,23H,5,8,12,14H2
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| InChIKey |
AQNZXINGTMSAJY-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