General Information of the Compound
| Compound ID |
CP0398021
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-2-[6-(hydroxymethyl)-1-methylindol-3-yl]-N-(4-methylphenyl)sulfonylacetamide
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| Structure |
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| Formula |
C26H24N2O6S
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| Molecular Weight |
492.553
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)NC(=O)C(c1cn(C)c2cc(CO)ccc12)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H24N2O6S/c1-16-3-7-19(8-4-16)35(31,32)27-26(30)25(18-6-10-23-24(12-18)34-15-33-23)21-13-28(2)22-11-17(14-29)5-9-20(21)22/h3-13,25,29H,14-15H2,1-2H3,(H,27,30)
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| InChIKey |
ZJAICLYAYAWLME-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