General Information of the Compound
| Compound ID |
CP0501441
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| Compound Name |
2-(3-fluorophenyl)-3-(methylsulfinyl)-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
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| Structure |
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| Formula |
C26H23FN2O2S
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| Molecular Weight |
446.547
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1cccc(F)c1)S(C)=O)c1ccccc1
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| InChI |
InChI=1S/C26H23FN2O2S/c1-3-21(17-10-5-4-6-11-17)29-26(30)23-20-14-7-8-15-22(20)28-24(25(23)32(2)31)18-12-9-13-19(27)16-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
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| InChIKey |
NPKZRAKVLIOXGJ-GIFGLUKTSA-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