General Information of the Compound
| Compound ID |
CP0903218
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| Compound Name |
(S)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)-N-(1-(p-tolyl)ethyl)acetamide
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| Structure |
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| Formula |
C16H17N5O2
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| Molecular Weight |
311.345
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| Canonical SMILES |
Cc1ccc([C@H](C)NC(=O)Cn2nc3cnccn3c2=O)cc1
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| InChI |
InChI=1S/C16H17N5O2/c1-11-3-5-13(6-4-11)12(2)18-15(22)10-21-16(23)20-8-7-17-9-14(20)19-21/h3-9,12H,10H2,1-2H3,(H,18,22)/t12-/m0/s1
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| InChIKey |
YKNHLFXHDKIWHC-LBPRGKRZSA-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