General Information of the Compound
| Compound ID |
CP0405001
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| Compound Name |
2-[2-(5-fluoropyrimidin-2-yl)ethyl]-4-hydroxy-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C23H18F4N4O4
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| Molecular Weight |
490.413
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| Canonical SMILES |
Oc1cccc2C(N(CCc3ncc(F)cn3)C(=O)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C23H18F4N4O4/c24-14-11-28-18(29-12-14)8-9-31-20(16-2-1-3-17(32)19(16)22(31)34)21(33)30-10-13-4-6-15(7-5-13)35-23(25,26)27/h1-7,11-12,20,32H,8-10H2,(H,30,33)
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| InChIKey |
LPQIVQULTGLWTO-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