General Information of the Compound
| Compound ID |
CP0408628
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| Compound Name |
2-(1-cyanopropan-2-yl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C21H18F3N3O3
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| Molecular Weight |
417.387
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| Canonical SMILES |
CC(CC#N)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
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| InChI |
InChI=1S/C21H18F3N3O3/c1-13(10-11-25)27-18(16-4-2-3-5-17(16)20(27)29)19(28)26-12-14-6-8-15(9-7-14)30-21(22,23)24/h2-9,13,18H,10,12H2,1H3,(H,26,28)
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| InChIKey |
FDVHTMPORAQXDN-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