General Information of the Compound
| Compound ID |
CP0309167
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| Compound Name |
(R)-N-(1-((3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-1-oxo-3-(2-(trifluoromethyl)phenyl)propan-2-yl)-3,3-dimethylbutanamide
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| Structure |
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| Formula |
C30H32F3N5O2
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| Molecular Weight |
551.613
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| Canonical SMILES |
CC(C)(C)CC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1Cc1ccccc1
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| InChI |
InChI=1S/C30H32F3N5O2/c1-29(2,3)17-26(39)37-24(16-21-12-7-8-13-22(21)30(31,32)33)28(40)35-18-25-36-23-14-9-15-34-27(23)38(25)19-20-10-5-4-6-11-20/h4-15,24H,16-19H2,1-3H3,(H,35,40)(H,37,39)/t24-/m1/s1
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| InChIKey |
CCIDREHXLARDHU-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