General Information of the Compound
| Compound ID |
CP0063641
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| Compound Name |
4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-thiophene-2-carbonitrile
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| Structure |
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| Formula |
C19H20N2OS
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| Molecular Weight |
324.449
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| Canonical SMILES |
Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
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| InChI |
InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3
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| InChIKey |
MWIXIWILHMYRGD-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