General Information of the Compound
| Compound ID |
CP0309163
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| Compound Name |
(R)-tert-butyl 1-((3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-1-oxo-3-(2-(trifluoromethyl)phenyl)propan-2-ylcarbamate
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| Structure |
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| Formula |
C29H30F3N5O3
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| Molecular Weight |
553.585
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1Cc1ccccc1
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| InChI |
InChI=1S/C29H30F3N5O3/c1-28(2,3)40-27(39)36-23(16-20-12-7-8-13-21(20)29(30,31)32)26(38)34-17-24-35-22-14-9-15-33-25(22)37(24)18-19-10-5-4-6-11-19/h4-15,23H,16-18H2,1-3H3,(H,34,38)(H,36,39)/t23-/m1/s1
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| InChIKey |
YTHVKXJUOMIOFP-HSZRJFAPSA-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