General Information of the Compound
| Compound ID |
CP0946797
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| Compound Name |
(R)-2-(4-(3,5-Difluorobenzoyl)piperazin-1-yl)-2-phenyl-N-(4-(trifluoromethyl)phenyl)acetamide
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| Structure |
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| Formula |
C26H22F5N3O2
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| Molecular Weight |
503.471
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| Canonical SMILES |
O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1
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| InChI |
InChI=1S/C26H22F5N3O2/c27-20-14-18(15-21(28)16-20)25(36)34-12-10-33(11-13-34)23(17-4-2-1-3-5-17)24(35)32-22-8-6-19(7-9-22)26(29,30)31/h1-9,14-16,23H,10-13H2,(H,32,35)/t23-/m1/s1
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| InChIKey |
LLSHGZAEPXGDRS-HSZRJFAPSA-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