General Information of the Compound
| Compound ID |
CP0865295
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| Compound Name |
(R)-2-(4-Cyanophenyl)-2-(4-(3,5-difluorobenzoyl)piperazin-1-yl)-N-(6-(2,2,2-trifluoroethoxy)pyridin-3-yl)acetamide
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| Structure |
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| Formula |
C27H22F5N5O3
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| Molecular Weight |
559.495
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| Canonical SMILES |
N#Cc1ccc([C@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1
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| InChI |
InChI=1S/C27H22F5N5O3/c28-20-11-19(12-21(29)13-20)26(39)37-9-7-36(8-10-37)24(18-3-1-17(14-33)2-4-18)25(38)35-22-5-6-23(34-15-22)40-16-27(30,31)32/h1-6,11-13,15,24H,7-10,16H2,(H,35,38)/t24-/m1/s1
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| InChIKey |
RVSALGOKOXAXER-XMMPIXPASA-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