General Information of the Compound
| Compound ID |
CP0501342
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| Compound Name |
S-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl] 8-methyl-3,4-dihydro-2H-quinoline-1-carbothioate
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| Structure |
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| Formula |
C19H20ClN3O4S2
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| Molecular Weight |
453.973
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| Canonical SMILES |
Cc1cccc2CCCN(C(=O)SCC(=O)Nc3ccc(cc3Cl)S(N)(=O)=O)c12
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| InChI |
InChI=1S/C19H20ClN3O4S2/c1-12-4-2-5-13-6-3-9-23(18(12)13)19(25)28-11-17(24)22-16-8-7-14(10-15(16)20)29(21,26)27/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,22,24)(H2,21,26,27)
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| InChIKey |
JNCKVSZNUFQNSW-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