General Information of the Compound
| Compound ID |
CP0405003
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| Compound Name |
3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-2-[[5-(trifluoromethyl)pyridin-2-yl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C24H17F6N3O3
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| Molecular Weight |
509.406
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CNC(=O)C2N(Cc3ccc(cn3)C(F)(F)F)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C24H17F6N3O3/c25-23(26,27)15-7-8-16(31-12-15)13-33-20(18-3-1-2-4-19(18)22(33)35)21(34)32-11-14-5-9-17(10-6-14)36-24(28,29)30/h1-10,12,20H,11,13H2,(H,32,34)
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| InChIKey |
HBLGPSSIZOQBCW-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
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha