General Information of the Compound
| Compound ID |
CP0013691
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| Compound Name |
[3-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenyl]methanol
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| Formula |
C21H20N4O2
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| Molecular Weight |
360.417
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| Canonical SMILES |
OCc1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
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| InChI |
InChI=1S/C21H20N4O2/c26-13-14-2-1-3-16(10-14)17-4-5-18-19(11-17)25-20(12-22-18)23-24-21(25)15-6-8-27-9-7-15/h1-5,10-12,15,26H,6-9,13H2
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| InChIKey |
ALVMITILHVYXEU-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