General Information of the Compound
| Compound ID |
CP0014718
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| Compound Name |
1-(cyclohepten-1-yl)-8-[5-(difluoromethyl)pyridin-3-yl]-[1,2,4]triazolo[4,3-a]quinoxaline
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| Formula |
C22H19F2N5
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| Molecular Weight |
391.425
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| Canonical SMILES |
FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCCC4)n3c2c1
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| InChI |
InChI=1S/C22H19F2N5/c23-21(24)17-9-16(11-25-12-17)15-7-8-18-19(10-15)29-20(13-26-18)27-28-22(29)14-5-3-1-2-4-6-14/h5,7-13,21H,1-4,6H2
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| InChIKey |
GCHBEJBYMQHZEM-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