General Information of the Compound
| Compound ID |
CP0123962
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| Compound Name |
3-amino-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C20H23N7O2
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| Molecular Weight |
393.451
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| Canonical SMILES |
NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(nc1N)N1CCCCCC1
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| InChI |
InChI=1S/C20H23N7O2/c21-17-16(19(28)26-20(22)23)24-15(14-11-12-7-3-4-8-13(12)29-14)18(25-17)27-9-5-1-2-6-10-27/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,21,25)(H4,22,23,26,28)
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| InChIKey |
FSPGYSVEHLETQR-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha