General Information of the Compound
| Compound ID |
CP0240428
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| Compound Name |
4-(3-ethylsulfonylphenyl)-2-methyl-6-(1- methylpyrazol-4-yl)isoquinolin-1-one
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| Structure |
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| Formula |
C22H21N3O3S
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| Molecular Weight |
407.495
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| Canonical SMILES |
CCS(=O)(=O)c1cccc(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C22H21N3O3S/c1-4-29(27,28)18-7-5-6-16(10-18)21-14-24(2)22(26)19-9-8-15(11-20(19)21)17-12-23-25(3)13-17/h5-14H,4H2,1-3H3
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| InChIKey |
GRQGPXDFKLFKPO-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