General Information of the Compound
| Compound ID |
CP0441509
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-2-(6-cyano-1-methylindol-3-yl)-N-(2-methoxy-4-methylphenyl)sulfonylacetamide
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| Structure |
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| Formula |
C27H23N3O6S
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| Molecular Weight |
517.563
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| Canonical SMILES |
COc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C#N)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H23N3O6S/c1-16-4-9-25(24(10-16)34-3)37(32,33)29-27(31)26(18-6-8-22-23(12-18)36-15-35-22)20-14-30(2)21-11-17(13-28)5-7-19(20)21/h4-12,14,26H,15H2,1-3H3,(H,29,31)
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| InChIKey |
VACPWIZSMORWDJ-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