General Information of the Compound
| Compound ID |
CP0390044
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| Compound Name |
S-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl] 8-chloro-3,4-dihydro-2H-quinoline-1-carbothioate
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| Structure |
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| Formula |
C18H17Cl2N3O4S2
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| Molecular Weight |
474.391
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| Canonical SMILES |
NS(=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cccc(Cl)c23)c(Cl)c1
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| InChI |
InChI=1S/C18H17Cl2N3O4S2/c19-13-5-1-3-11-4-2-8-23(17(11)13)18(25)28-10-16(24)22-15-7-6-12(9-14(15)20)29(21,26)27/h1,3,5-7,9H,2,4,8,10H2,(H,22,24)(H2,21,26,27)
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| InChIKey |
BMQKNCOLHCNITG-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