General Information of the Compound
| Compound ID |
CP0449604
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| Compound Name |
2-[2-(5-fluoropyrimidin-2-yl)ethyl]-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C23H17F5N4O2
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| Molecular Weight |
476.405
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| Canonical SMILES |
Fc1cnc(CCN2C(C(=O)NCc3ccc(F)c(c3)C(F)(F)F)c3ccccc3C2=O)nc1
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| InChI |
InChI=1S/C23H17F5N4O2/c24-14-11-29-19(30-12-14)7-8-32-20(15-3-1-2-4-16(15)22(32)34)21(33)31-10-13-5-6-18(25)17(9-13)23(26,27)28/h1-6,9,11-12,20H,7-8,10H2,(H,31,33)
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| InChIKey |
MDNRLFQBJXDLAO-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: PT03022, Sodium channel protein type 2 subunit alpha
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha