General Information of the Compound
| Compound ID |
CP0069799
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| Compound Name |
(exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-trifluoromethoxy-benzyl)-(2-(2-hydroxy, 2-methylpropyl)-octahydro-cyclopenta[c]pyrrol-5-yl)-amide
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| Formula |
C24H31F3N4O3
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| Molecular Weight |
480.531
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| Canonical SMILES |
Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(C)(C)O)C[C@H]2C1
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| InChI |
InChI=1S/C24H31F3N4O3/c1-23(2,33)14-30-11-17-8-19(9-18(17)12-30)31(22(32)21-13-29(3)15-28-21)10-16-5-4-6-20(7-16)34-24(25,26)27/h4-7,13,15,17-19,33H,8-12,14H2,1-3H3/t17-,18+,19-
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| InChIKey |
ARKYOPPYXOUDRK-REPLKXPHSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2