General Information of the Compound
| Compound ID |
CP0035485
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| Compound Name |
(R)-tert-butyl 3-(3-fluoro-2-(trifluoromethyl)phenyl)-1-oxo-1-((3-(1-phenylcyclopropyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)propan-2-ylcarbamate
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| Structure |
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| Formula |
C31H31F4N5O3
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| Molecular Weight |
597.613
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@H](Cc1cccc(F)c1C(F)(F)F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
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| InChI |
InChI=1S/C31H31F4N5O3/c1-29(2,3)43-28(42)39-23(17-19-9-7-12-21(32)25(19)31(33,34)35)27(41)37-18-24-38-22-13-8-16-36-26(22)40(24)30(14-15-30)20-10-5-4-6-11-20/h4-13,16,23H,14-15,17-18H2,1-3H3,(H,37,41)(H,39,42)/t23-/m1/s1
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| InChIKey |
GFFRRUFVZMBJGA-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