General Information of the Compound
| Compound ID |
CP0908543
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| Compound Name |
(R)-2-(4-(2-Chloro-5-fluorobenzoyl)piperazin-1-yl)-2-(4-cyanophenyl)-N-(2-cyclopropyl2,2-difluoroethyl)acetamide
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| Structure |
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| Formula |
C25H24ClF3N4O2
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| Molecular Weight |
504.94
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| Canonical SMILES |
N#Cc1ccc([C@H](C(=O)NCC(F)(F)C2CC2)N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1
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| InChI |
InChI=1S/C25H24ClF3N4O2/c26-21-8-7-19(27)13-20(21)24(35)33-11-9-32(10-12-33)22(17-3-1-16(14-30)2-4-17)23(34)31-15-25(28,29)18-5-6-18/h1-4,7-8,13,18,22H,5-6,9-12,15H2,(H,31,34)/t22-/m1/s1
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| InChIKey |
SQVMZLKQHMCEPN-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: PT02269, Sodium channel protein type 9 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha