General Information of the Compound
| Compound ID |
CP0284993
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| Compound Name |
(4-propan-2-yl-1,4-diazepan-1-yl)-[1-[6-(trifluoromethyl)pyridin-3-yl]piperidin-4-yl]methanone
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| Synonyms |
GSK-334429
GSK-357868
GSK-678103
H3 antagonists (cognitive disorder)
H3 antagonists (cognitive disorder), GlaxoSmithKline
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| Structure |
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| Formula |
C20H29F3N4O
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| Molecular Weight |
398.473
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| Canonical SMILES |
CC(C)N1CCCN(CC1)C(=O)C1CCN(CC1)c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C20H29F3N4O/c1-15(2)25-8-3-9-27(13-12-25)19(28)16-6-10-26(11-7-16)17-4-5-18(24-14-17)20(21,22)23/h4-5,14-16H,3,6-13H2,1-2H3
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| InChIKey |
AHHPKVQYHXNBQN-UHFFFAOYSA-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
Clinical Information about the Compound