General Information of the Compound
| Compound ID |
CP0487303
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| Compound Name |
3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiophen-3-yl)quinoline-4-carboxamide
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| Structure |
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| Formula |
C24H22N2O2S2
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| Molecular Weight |
434.586
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccsc1)S(C)=O)c1ccccc1
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| InChI |
InChI=1S/C24H22N2O2S2/c1-3-19(16-9-5-4-6-10-16)26-24(27)21-18-11-7-8-12-20(18)25-22(23(21)30(2)28)17-13-14-29-15-17/h4-15,19H,3H2,1-2H3,(H,26,27)/t19-,30?/m0/s1
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| InChIKey |
MYIZPPSONMKYOD-QUZMYUOTSA-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