General Information of the Compound
| Compound ID |
CP0416384
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| Compound Name |
N-(4-chlorophenyl)-2-[(3-cyano-4-thiophen-3-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
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| Structure |
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| Formula |
C22H18ClN3OS2
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| Molecular Weight |
439.993
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| Canonical SMILES |
Clc1ccc(NC(=O)CSc2nc3CCCCc3c(-c3ccsc3)c2C#N)cc1
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| InChI |
InChI=1S/C22H18ClN3OS2/c23-15-5-7-16(8-6-15)25-20(27)13-29-22-18(11-24)21(14-9-10-28-12-14)17-3-1-2-4-19(17)26-22/h5-10,12H,1-4,13H2,(H,25,27)
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| InChIKey |
INSVGYGNOLGCDR-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