General Information of the Compound
| Compound ID |
CP0550414
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| Compound Name |
3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-6-(6-methylsulfonylpyridin-3-yl)quinolin-4-amine
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| Structure |
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| Formula |
C23H19ClFN3O2S
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| Molecular Weight |
455.942
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| Canonical SMILES |
C[C@@H](Nc1c(Cl)cnc2ccc(cc12)-c1ccc(nc1)S(C)(=O)=O)c1ccccc1F
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| InChI |
InChI=1S/C23H19ClFN3O2S/c1-14(17-5-3-4-6-20(17)25)28-23-18-11-15(7-9-21(18)26-13-19(23)24)16-8-10-22(27-12-16)31(2,29)30/h3-14H,1-2H3,(H,26,28)/t14-/m1/s1
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| InChIKey |
GLHKTYUJPHIPSK-CQSZACIVSA-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