General Information of the Compound
| Compound ID |
CP0397532
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| Compound Name |
2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
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| Structure |
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| Formula |
C22H30ClN3O2S
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| Molecular Weight |
436.021
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| Canonical SMILES |
CCC1CCCCN1CCCNC(=O)CSc1cc(=O)n(C)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C22H30ClN3O2S/c1-3-17-7-4-5-11-26(17)12-6-10-24-21(27)15-29-20-14-22(28)25(2)19-9-8-16(23)13-18(19)20/h8-9,13-14,17H,3-7,10-12,15H2,1-2H3,(H,24,27)
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| InChIKey |
QAEFWRFPHWXYHR-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