General Information of the Compound
| Compound ID |
CP0494074
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-2-(6-chloro-1-methylindol-3-yl)-N-(2-methoxy-4-methylphenyl)sulfonylacetamide
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| Structure |
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| Formula |
C26H23ClN2O6S
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| Molecular Weight |
526.998
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| Canonical SMILES |
COc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1cn(C)c2cc(Cl)ccc12)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H23ClN2O6S/c1-15-4-9-24(23(10-15)33-3)36(31,32)28-26(30)25(16-5-8-21-22(11-16)35-14-34-21)19-13-29(2)20-12-17(27)6-7-18(19)20/h4-13,25H,14H2,1-3H3,(H,28,30)
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| InChIKey |
FDVBFLHJYUCEKU-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