General Information of the Compound
| Compound ID |
CP0579265
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| Compound Name |
4-(4-methylphenyl)-2-oxo-8-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
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| Structure |
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| Formula |
C19H17F3N2O
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| Molecular Weight |
346.352
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| Canonical SMILES |
Cc1ccc(cc1)-c1c2CCCC(CC(F)(F)F)c2[nH]c(=O)c1C#N
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| InChI |
InChI=1S/C19H17F3N2O/c1-11-5-7-12(8-6-11)16-14-4-2-3-13(9-19(20,21)22)17(14)24-18(25)15(16)10-23/h5-8,13H,2-4,9H2,1H3,(H,24,25)
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| InChIKey |
HNBKZQZFLHKEDL-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