General Information of the Compound
| Compound ID |
CP0516581
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| Compound Name |
7-((dimethylamino)methyl)-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
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| Structure |
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| Formula |
C29H31N3O2S
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| Molecular Weight |
485.653
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(c(nc2cc(CN(C)C)ccc12)-c1ccccc1)S(C)=O)c1ccccc1
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| InChI |
InChI=1S/C29H31N3O2S/c1-5-24(21-12-8-6-9-13-21)31-29(33)26-23-17-16-20(19-32(2)3)18-25(23)30-27(28(26)35(4)34)22-14-10-7-11-15-22/h6-18,24H,5,19H2,1-4H3,(H,31,33)/t24-,35?/m0/s1
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| InChIKey |
LOKNKYMQCNMPOQ-FRIBFZOTSA-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