General Information of the Compound
| Compound ID |
CP0924347
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| Compound Name |
(R)-2-(4-(2-Chloro-5-fluoronicotinoyl)piperazin-1-yl)-2-phenyl-N-(6-(2,2,2-trifluoroethoxy)pyridin-3-yl)acetamide
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| Structure |
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| Formula |
C25H22ClF4N5O3
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| Molecular Weight |
551.928
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| Canonical SMILES |
O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cnc2Cl)CC1
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| InChI |
InChI=1S/C25H22ClF4N5O3/c26-22-19(12-17(27)13-32-22)24(37)35-10-8-34(9-11-35)21(16-4-2-1-3-5-16)23(36)33-18-6-7-20(31-14-18)38-15-25(28,29)30/h1-7,12-14,21H,8-11,15H2,(H,33,36)/t21-/m1/s1
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| InChIKey |
UWXYMPUFJVJRED-OAQYLSRUSA-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