General Information of the Compound
| Compound ID |
CP0105456
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| Compound Name |
6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C21H20ClN5O
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| Molecular Weight |
393.878
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| Canonical SMILES |
Clc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1N1CCCC1
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| InChI |
InChI=1S/C21H20ClN5O/c22-17-7-5-15(6-8-17)18-13-23-14-19(26-18)21(28)25-12-16-4-3-9-24-20(16)27-10-1-2-11-27/h3-9,13-14H,1-2,10-12H2,(H,25,28)
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| InChIKey |
XUEHBVFEQMVDHJ-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: PT02752, Sodium channel protein type 10 subunit alpha
Protein ID: PT03008, Sodium channel protein type 10 subunit alpha