General Information of the Compound
| Compound ID |
CP0849637
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| Compound Name |
(R)-2-(4-(3-Cyano-5-fluorobenzoyl)piperazin-1-yl)-N-(2-cyclopropyl-2,2-difluoroethyl)-2-phenylacetamide
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| Structure |
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| Formula |
C25H25F3N4O2
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| Molecular Weight |
470.495
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| Canonical SMILES |
N#Cc1cc(F)cc(C(=O)N2CCN([C@@H](C(=O)NCC(F)(F)C3CC3)c3ccccc3)CC2)c1
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| InChI |
InChI=1S/C25H25F3N4O2/c26-21-13-17(15-29)12-19(14-21)24(34)32-10-8-31(9-11-32)22(18-4-2-1-3-5-18)23(33)30-16-25(27,28)20-6-7-20/h1-5,12-14,20,22H,6-11,16H2,(H,30,33)/t22-/m1/s1
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| InChIKey |
FTWNOJFZUPAFDT-JOCHJYFZSA-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
Protein ID: PT02269, Sodium channel protein type 9 subunit alpha