General Information of the Compound
| Compound ID |
CP0401899
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| Compound Name |
S-[2-[4-(benzylcarbamoyl)-2-chloroanilino]-2-oxoethyl] 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbothioate
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| Structure |
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| Formula |
C26H22Cl3N3O3S
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| Molecular Weight |
562.906
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| Canonical SMILES |
Clc1cc(Cl)c2N(CCCc2c1)C(=O)SCC(=O)Nc1ccc(cc1Cl)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C26H22Cl3N3O3S/c27-19-11-17-7-4-10-32(24(17)21(29)13-19)26(35)36-15-23(33)31-22-9-8-18(12-20(22)28)25(34)30-14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-13H,4,7,10,14-15H2,(H,30,34)(H,31,33)
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| InChIKey |
GCSGUSKCFDTWJA-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