General Information of the Compound
| Compound ID |
CP0461389
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| Compound Name |
1-(4'-Methylsulfanyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid isopropylamide
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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 |
CSc1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC(C)C)c(=O)c2cccnc12
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| InChI |
InChI=1S/C25H23N3O2S/c1-16(2)27-25(30)22-15-28(24-21(23(22)29)8-5-13-26-24)19-7-4-6-18(14-19)17-9-11-20(31-3)12-10-17/h4-16H,1-3H3,(H,27,30)
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| InChIKey |
PSUSMJVQHFLIDF-UHFFFAOYSA-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
Protein ID: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2