General Information of the Compound
| Compound ID |
CP0155892
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| Compound Name |
(R)-tert-butyl 3-(2,6-difluorophenyl)-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 |
C30H31F2N5O3
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| Molecular Weight |
547.606
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
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| InChI |
InChI=1S/C30H31F2N5O3/c1-29(2,3)40-28(39)36-24(17-20-21(31)11-7-12-22(20)32)27(38)34-18-25-35-23-13-8-16-33-26(23)37(25)30(14-15-30)19-9-5-4-6-10-19/h4-13,16,24H,14-15,17-18H2,1-3H3,(H,34,38)(H,36,39)/t24-/m1/s1
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| InChIKey |
VDKRGTBLHFOGSC-XMMPIXPASA-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