General Information of the Compound
| Compound ID |
CP0411092
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| Compound Name |
8-(1-(pyrrolidin-3-yl)-1H-indol-3-ylsulfonyl)quinoline
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| Structure |
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| Formula |
C21H19N3O2S
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| Molecular Weight |
377.469
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| Canonical SMILES |
O=S(=O)(c1cn(C2CCNC2)c2ccccc12)c1cccc2cccnc12
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| InChI |
InChI=1S/C21H19N3O2S/c25-27(26,19-9-3-5-15-6-4-11-23-21(15)19)20-14-24(16-10-12-22-13-16)18-8-2-1-7-17(18)20/h1-9,11,14,16,22H,10,12-13H2
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| InChIKey |
DYBDWJMYDAUKFY-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