General Information of the Compound
| Compound ID |
CP0533028
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| Compound Name |
3-(Isoquinolin-5-yloxy)-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
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| Structure |
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| Formula |
C22H19NO5S
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| Molecular Weight |
409.463
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| Canonical SMILES |
CC1(C)OC(=O)C(Oc2cccc3cnccc23)=C1c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H19NO5S/c1-22(2)19(14-7-9-16(10-8-14)29(3,25)26)20(21(24)28-22)27-18-6-4-5-15-13-23-12-11-17(15)18/h4-13H,1-3H3
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| InChIKey |
PRVRFYFBPULTKN-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