General Information of the Compound
| Compound ID |
CP0469160
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| Compound Name |
7-(dimethylamino)-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
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| Structure |
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| Formula |
C28H29N3O2S
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| Molecular Weight |
471.626
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(c(nc2cc(ccc12)N(C)C)-c1ccccc1)S(C)=O)c1ccccc1
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| InChI |
InChI=1S/C28H29N3O2S/c1-5-23(19-12-8-6-9-13-19)30-28(32)25-22-17-16-21(31(2)3)18-24(22)29-26(27(25)34(4)33)20-14-10-7-11-15-20/h6-18,23H,5H2,1-4H3,(H,30,32)/t23-,34?/m0/s1
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| InChIKey |
CWLUEPPGEWVQJT-SKBWGGTPSA-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