General Information of the Compound
| Compound ID |
CP0462030
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-2-(1-ethylindol-3-yl)-N-(4-propan-2-ylphenyl)sulfonylacetamide
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| Structure |
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| Formula |
C28H28N2O5S
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| Molecular Weight |
504.608
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| Canonical SMILES |
CCn1cc(C(C(=O)NS(=O)(=O)c2ccc(cc2)C(C)C)c2ccc3OCOc3c2)c2ccccc12
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| InChI |
InChI=1S/C28H28N2O5S/c1-4-30-16-23(22-7-5-6-8-24(22)30)27(20-11-14-25-26(15-20)35-17-34-25)28(31)29-36(32,33)21-12-9-19(10-13-21)18(2)3/h5-16,18,27H,4,17H2,1-3H3,(H,29,31)
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| InChIKey |
IRSFNAANHUHAKL-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