General Information of the Compound
| Compound ID |
CP0014701
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| Compound Name |
8-[5-(difluoromethyl)pyridin-3-yl]-1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
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| Formula |
C20H17F2N5O
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| Molecular Weight |
381.386
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| Canonical SMILES |
FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
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| InChI |
InChI=1S/C20H17F2N5O/c21-19(22)15-7-14(9-23-10-15)13-1-2-16-17(8-13)27-18(11-24-16)25-26-20(27)12-3-5-28-6-4-12/h1-2,7-12,19H,3-6H2
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| InChIKey |
KMVHNMPETPMFRJ-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
Protein ID: PT07381, Alpha-1-antitrypsin-related protein
Protein ID: PT00955, DNA-dependent protein kinase catalytic subunit
Protein ID: PT01902, Serine-protein kinase ATM