General Information of the Compound
| Compound ID |
CP0868389
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| Compound Name |
(S)-2-(7-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)-N-(1-(p-tolyl)ethyl)acetamide
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| Structure |
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| Formula |
C18H20N4O3
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| Molecular Weight |
340.383
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| Canonical SMILES |
COc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nc2c1
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| InChI |
InChI=1S/C18H20N4O3/c1-12-4-6-14(7-5-12)13(2)19-17(23)11-22-18(24)21-9-8-15(25-3)10-16(21)20-22/h4-10,13H,11H2,1-3H3,(H,19,23)/t13-/m0/s1
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| InChIKey |
CLGGCDSSOFVOQZ-ZDUSSCGKSA-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