General Information of the Compound
| Compound ID |
CP0506533
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| Compound Name |
S-[2-(2-chloro-4-methylsulfonylanilino)-2-oxoethyl] 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbothioate
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| Structure |
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| Formula |
C19H17Cl3N2O4S2
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| Molecular Weight |
507.848
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| Canonical SMILES |
CS(=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1
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| InChI |
InChI=1S/C19H17Cl3N2O4S2/c1-30(27,28)13-4-5-16(14(21)9-13)23-17(25)10-29-19(26)24-6-2-3-11-7-12(20)8-15(22)18(11)24/h4-5,7-9H,2-3,6,10H2,1H3,(H,23,25)
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| InChIKey |
CKOJPIRIFOCJML-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