General Information of the Compound
| Compound ID |
CP0853193
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| Compound Name |
6-chloro-N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C18H20ClN3O4S
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| Molecular Weight |
409.895
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| Canonical SMILES |
CN(C(=O)CNC(=O)c1cnc2ccc(Cl)cc2c1)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C18H20ClN3O4S/c1-22(15-4-6-27(25,26)7-5-15)17(23)11-21-18(24)13-8-12-9-14(19)2-3-16(12)20-10-13/h2-3,8-10,15H,4-7,11H2,1H3,(H,21,24)
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| InChIKey |
VXCVFUJIJDZZBK-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