General Information of the Compound
| Compound ID |
CP0453522
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| Compound Name |
2-(2-morpholin-4-ylethyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C23H24F3N3O4
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| Molecular Weight |
463.456
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCN3CCOCC3)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C23H24F3N3O4/c24-23(25,26)33-17-7-5-16(6-8-17)15-27-21(30)20-18-3-1-2-4-19(18)22(31)29(20)10-9-28-11-13-32-14-12-28/h1-8,20H,9-15H2,(H,27,30)
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| InChIKey |
CUYDXPRHXMAKMH-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