General Information of the Compound
| Compound ID |
CP0476224
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| Compound Name |
3-(5-Chloro-6-isobutoxypyridin-3-yl)-N-(cyclopropylsulfonyl)-1-isobutyl-1H-indole-6-carboxamide
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| Structure |
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| Formula |
C25H30ClN3O4S
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| Molecular Weight |
504.052
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| Canonical SMILES |
CC(C)COc1ncc(cc1Cl)-c1cn(CC(C)C)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1
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| InChI |
InChI=1S/C25H30ClN3O4S/c1-15(2)12-29-13-21(18-9-22(26)25(27-11-18)33-14-16(3)4)20-8-5-17(10-23(20)29)24(30)28-34(31,32)19-6-7-19/h5,8-11,13,15-16,19H,6-7,12,14H2,1-4H3,(H,28,30)
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| InChIKey |
HVXQJYRIBICXNC-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