General Information of the Compound
| Compound ID |
CP0013948
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| Compound Name |
2-(2-(N,N-dimethylsulfamoyl)phenoxy)-N-(2-hydroxy-3-(isoindolin-2-yl)propyl)acetamide
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| Structure |
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| Formula |
C21H27N3O5S
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| Molecular Weight |
433.53
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1
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| InChI |
InChI=1S/C21H27N3O5S/c1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24/h3-10,18,25H,11-15H2,1-2H3,(H,22,26)
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| InChIKey |
NUIFKYWFAHJEGZ-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