General Information of the Compound
| Compound ID |
CP0435277
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| Compound Name |
tert-butyl 3-[3-oxo-1-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]-1H-isoindol-2-yl]azetidine-1-carboxylate
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| Structure |
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| Formula |
C25H26F3N3O5
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| Molecular Weight |
505.493
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC(C1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
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| InChI |
InChI=1S/C25H26F3N3O5/c1-24(2,3)36-23(34)30-13-16(14-30)31-20(18-6-4-5-7-19(18)22(31)33)21(32)29-12-15-8-10-17(11-9-15)35-25(26,27)28/h4-11,16,20H,12-14H2,1-3H3,(H,29,32)
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| InChIKey |
VIZAVJRLNLXOKV-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