General Information of the Compound
| Compound ID |
CP0870299
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| Compound Name |
2-(3-oxo-8-(pyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)-N-((S)-1-(p-tolyl)ethyl)acetamide
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
Cc1ccc([C@H](C)NC(=O)Cn2nc3c(C4CCNC4)cccn3c2=O)cc1
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| InChI |
InChI=1S/C21H25N5O2/c1-14-5-7-16(8-6-14)15(2)23-19(27)13-26-21(28)25-11-3-4-18(20(25)24-26)17-9-10-22-12-17/h3-8,11,15,17,22H,9-10,12-13H2,1-2H3,(H,23,27)/t15-,17?/m0/s1
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| InChIKey |
SLGCSQUEFNAVEX-MYJWUSKBSA-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