General Information of the Compound
| Compound ID |
CP0537662
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| Compound Name |
2-[2-[2-(2,5-dimethoxyphenyl)ethyl]-1-oxoisoquinolin-7-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H24N2O5S
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| Molecular Weight |
464.543
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| Canonical SMILES |
COc1ccc(OC)c(CCn2ccc3ccc(cc3c2=O)-c2ccccc2S(N)(=O)=O)c1
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| InChI |
InChI=1S/C25H24N2O5S/c1-31-20-9-10-23(32-2)19(15-20)12-14-27-13-11-17-7-8-18(16-22(17)25(27)28)21-5-3-4-6-24(21)33(26,29)30/h3-11,13,15-16H,12,14H2,1-2H3,(H2,26,29,30)
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| InChIKey |
MOBLOIPYYFUXDD-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