General Information of the Compound
| Compound ID |
CP0424379
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| Compound Name |
N-(3,5-dichloropyridin-4-yl)-1-[3-[(E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C32H22Cl2N6O5S
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| Molecular Weight |
673.538
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| Canonical SMILES |
Cc1noc(n1)C(=C\c1cccc(c1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12)\c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C32H22Cl2N6O5S/c1-18-37-32(45-39-18)24(20-8-10-22(11-9-20)46(2,43)44)14-19-5-3-6-21(13-19)40-17-25(29(41)23-7-4-12-36-30(23)40)31(42)38-28-26(33)15-35-16-27(28)34/h3-17H,1-2H3,(H,35,38,42)/b24-14+
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| InChIKey |
REEYYMDAALTGHS-ZVHZXABRSA-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