General Information of the Compound
| Compound ID |
CP0552640
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| Compound Name |
3-(5-Chloro-6-isobutoxypyridin-3-yl)-1-isobutyl-N-(methylsulfonyl)-1H-indole-6-carboxamide
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| Structure |
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| Formula |
C23H28ClN3O4S
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| Molecular Weight |
478.014
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| Canonical SMILES |
CC(C)COc1ncc(cc1Cl)-c1cn(CC(C)C)c2cc(ccc12)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C23H28ClN3O4S/c1-14(2)11-27-12-19(17-8-20(24)23(25-10-17)31-13-15(3)4)18-7-6-16(9-21(18)27)22(28)26-32(5,29)30/h6-10,12,14-15H,11,13H2,1-5H3,(H,26,28)
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| InChIKey |
NQTPZRKKOTXCSM-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha