General Information of the Compound
| Compound ID |
CP0514035
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| Compound Name |
ethyl 3-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-4-methylphenyl)sulfonylamino]-2-oxoethyl]-1-methylindole-6-carboxylate
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| Structure |
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| Formula |
C29H28N2O8S
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| Molecular Weight |
564.616
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| Canonical SMILES |
CCOC(=O)c1ccc2c(cn(C)c2c1)C(C(=O)NS(=O)(=O)c1ccc(C)cc1OC)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C29H28N2O8S/c1-5-37-29(33)19-7-9-20-21(15-31(3)22(20)13-19)27(18-8-10-23-24(14-18)39-16-38-23)28(32)30-40(34,35)26-11-6-17(2)12-25(26)36-4/h6-15,27H,5,16H2,1-4H3,(H,30,32)
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| InChIKey |
WUYGPPAFDHJCRQ-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