General Information of the Compound
| Compound ID |
CP0535041
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-2-[6-(methoxymethyl)-1-methylindol-3-yl]-N-(2-methoxy-4-methylphenyl)sulfonylacetamide
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| Structure |
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| Formula |
C28H28N2O7S
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| Molecular Weight |
536.606
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| Canonical SMILES |
COCc1ccc2c(cn(C)c2c1)C(C(=O)NS(=O)(=O)c1ccc(C)cc1OC)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H28N2O7S/c1-17-5-10-26(25(11-17)35-4)38(32,33)29-28(31)27(19-7-9-23-24(13-19)37-16-36-23)21-14-30(2)22-12-18(15-34-3)6-8-20(21)22/h5-14,27H,15-16H2,1-4H3,(H,29,31)
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| InChIKey |
PKHUJBTZRIYKHG-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor