General Information of the Compound
| Compound ID |
CP0500539
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| Compound Name |
7-methyl-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
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| Structure |
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| Formula |
C27H26N2O2S
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| Molecular Weight |
442.584
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(c(nc2cc(C)ccc12)-c1ccccc1)S(C)=O)c1ccccc1
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| InChI |
InChI=1S/C27H26N2O2S/c1-4-22(19-11-7-5-8-12-19)29-27(30)24-21-16-15-18(2)17-23(21)28-25(26(24)32(3)31)20-13-9-6-10-14-20/h5-17,22H,4H2,1-3H3,(H,29,30)/t22-,32?/m0/s1
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| InChIKey |
YCZGSIFFCFRLEX-LCUARMQBSA-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