General Information of the Compound
| Compound ID |
CP0399920
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| Compound Name |
3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(pyridin-2-yl)quinoline-4-carboxamide
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| Structure |
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| Formula |
C25H23N3O2S
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| Molecular Weight |
429.545
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccn1)S(C)=O)c1ccccc1
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| InChI |
InChI=1S/C25H23N3O2S/c1-3-19(17-11-5-4-6-12-17)28-25(29)22-18-13-7-8-14-20(18)27-23(24(22)31(2)30)21-15-9-10-16-26-21/h4-16,19H,3H2,1-2H3,(H,28,29)/t19-,31?/m0/s1
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| InChIKey |
ZEHYDXFZAZLFHK-LRECHQAASA-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