General Information of the Compound
| Compound ID |
CP0942935
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| Compound Name |
(S)-tert-butyl(3-oxo-2-(2-oxo-2-((1-(p-tolyl)ethyl)amino)ethyl)-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)carbamate
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| Structure |
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| Formula |
C22H27N5O4
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| Molecular Weight |
425.489
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| Canonical SMILES |
Cc1ccc([C@H](C)NC(=O)Cn2nc3c(NC(=O)OC(C)(C)C)cccn3c2=O)cc1
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| InChI |
InChI=1S/C22H27N5O4/c1-14-8-10-16(11-9-14)15(2)23-18(28)13-27-21(30)26-12-6-7-17(19(26)25-27)24-20(29)31-22(3,4)5/h6-12,15H,13H2,1-5H3,(H,23,28)(H,24,29)/t15-/m0/s1
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| InChIKey |
LITJRACOOWHJNL-HNNXBMFYSA-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