General Information of the Compound
| Compound ID |
CP0502460
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| Compound Name |
8-(1-(1-methylpyrrolidin-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 |
CN1CCC(C1)n1cc(c2ccccc12)S(=O)(=O)c1cccc2cccnc12
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| InChI |
InChI=1S/C22H21N3O2S/c1-24-13-11-17(14-24)25-15-21(18-8-2-3-9-19(18)25)28(26,27)20-10-4-6-16-7-5-12-23-22(16)20/h2-10,12,15,17H,11,13-14H2,1H3
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| InChIKey |
AJEWXUIXKDZAJB-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