General Information of the Compound
| Compound ID |
CP0450356
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| Compound Name |
S-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl] N-methyl-N-(2,4,6-trimethylphenyl)carbamothioate
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| Structure |
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| Formula |
C19H22ClN3O4S2
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| Molecular Weight |
455.989
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| Canonical SMILES |
CN(C(=O)SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O)c1c(C)cc(C)cc1C
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| InChI |
InChI=1S/C19H22ClN3O4S2/c1-11-7-12(2)18(13(3)8-11)23(4)19(25)28-10-17(24)22-16-6-5-14(9-15(16)20)29(21,26)27/h5-9H,10H2,1-4H3,(H,22,24)(H2,21,26,27)
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| InChIKey |
AGHMFOBRJGGWOS-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