General Information of the Compound
| Compound ID |
CP0903317
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| Compound Name |
(S)-N-(1-(4-isopropoxyphenyl)ethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C19H22N4O3
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| Molecular Weight |
354.41
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| Canonical SMILES |
CC(C)Oc1ccc([C@H](C)NC(=O)Cn2nc3ccccn3c2=O)cc1
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| InChI |
InChI=1S/C19H22N4O3/c1-13(2)26-16-9-7-15(8-10-16)14(3)20-18(24)12-23-19(25)22-11-5-4-6-17(22)21-23/h4-11,13-14H,12H2,1-3H3,(H,20,24)/t14-/m0/s1
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| InChIKey |
VKJQEVCYTPJVTO-AWEZNQCLSA-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: PT06277, Probable G-protein coupled receptor 139
Protein ID: PT06789, Probable G-protein coupled receptor 139