General Information of the Compound
| Compound ID |
CP0014700
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| Compound Name |
8-(5-methylpyridin-3-yl)-1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
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| Formula |
C20H19N5O
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| Molecular Weight |
345.406
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| Canonical SMILES |
Cc1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
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| InChI |
InChI=1S/C20H19N5O/c1-13-8-16(11-21-10-13)15-2-3-17-18(9-15)25-19(12-22-17)23-24-20(25)14-4-6-26-7-5-14/h2-3,8-12,14H,4-7H2,1H3
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| InChIKey |
SOXBKQLMGFCRFW-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