General Information of the Compound
| Compound ID |
CP0515476
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| Compound Name |
US9181219, methyl 5-chloro-6-{[2-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
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| Structure |
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| Formula |
C19H19ClN2O3S
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| Molecular Weight |
390.892
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| Canonical SMILES |
COC(=O)c1cnc(SCC(=O)N2CCCc3cccc(C)c23)c(Cl)c1
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| InChI |
InChI=1S/C19H19ClN2O3S/c1-12-5-3-6-13-7-4-8-22(17(12)13)16(23)11-26-18-15(20)9-14(10-21-18)19(24)25-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3
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| InChIKey |
GHXGNKHZWJMXFL-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