General Information of the Compound
| Compound ID |
CP0859675
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| Compound Name |
(R)-N-benzyl-2-(4-cyanophenyl)-2-(4-(3,5-difluorobenzoyl)piperazin-1-yl)acetamide
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| Structure |
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| Formula |
C27H24F2N4O2
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| Molecular Weight |
474.511
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| Canonical SMILES |
N#Cc1ccc([C@H](C(=O)NCc2ccccc2)N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1
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| InChI |
InChI=1S/C27H24F2N4O2/c28-23-14-22(15-24(29)16-23)27(35)33-12-10-32(11-13-33)25(21-8-6-19(17-30)7-9-21)26(34)31-18-20-4-2-1-3-5-20/h1-9,14-16,25H,10-13,18H2,(H,31,34)/t25-/m1/s1
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| InChIKey |
MMKDIMGMOCXHAH-RUZDIDTESA-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