General Information of the Compound
| Compound ID |
CP0298822
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| Compound Name |
(exo)-N-(2-ethyloctahydrocyclopenta[c]pyrrol-5-yl)-N-(4-fluoro-3-(trifluoromethyl)benzyl)-1-methyl-1H-imidazole-4-carboxamide
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| Formula |
C22H26F4N4O
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| Molecular Weight |
438.469
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| Canonical SMILES |
CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1
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| InChI |
InChI=1S/C22H26F4N4O/c1-3-29-10-15-7-17(8-16(15)11-29)30(21(31)20-12-28(2)13-27-20)9-14-4-5-19(23)18(6-14)22(24,25)26/h4-6,12-13,15-17H,3,7-11H2,1-2H3/t15-,16+,17-
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| InChIKey |
JQEUMGMNJYJROS-BJWYYQGGSA-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