General Information of the Compound
| Compound ID |
CP0155888
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| Compound Name |
(R)-N-(1-oxo-1-((3-(1-phenylcyclopropyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-3-(2-(trifluoromethyl)phenyl)propan-2-yl)-2-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C34H27F6N5O3
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| Molecular Weight |
667.61
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| Canonical SMILES |
FC(F)(F)Oc1ccccc1C(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
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| InChI |
InChI=1S/C34H27F6N5O3/c35-33(36,37)24-13-6-4-9-21(24)19-26(44-30(46)23-12-5-7-15-27(23)48-34(38,39)40)31(47)42-20-28-43-25-14-8-18-41-29(25)45(28)32(16-17-32)22-10-2-1-3-11-22/h1-15,18,26H,16-17,19-20H2,(H,42,47)(H,44,46)/t26-/m1/s1
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| InChIKey |
CWRBPYURGIMZCJ-AREMUKBSSA-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: PT02752, Sodium channel protein type 10 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha