General Information of the Compound
| Compound ID |
CP0051598
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| Compound Name |
(1-Ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-methyl-amine
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| Structure |
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| Formula |
C12H13N5
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| Molecular Weight |
227.271
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| Canonical SMILES |
CCc1nnc2c(NC)nc3ccccc3n12
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| InChI |
InChI=1S/C12H13N5/c1-3-10-15-16-12-11(13-2)14-8-6-4-5-7-9(8)17(10)12/h4-7H,3H2,1-2H3,(H,13,14)
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| InChIKey |
MRUIYPXWAQFKJX-UHFFFAOYSA-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