General Information of the Compound
| Compound ID |
CP0237108
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| Compound Name |
6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
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| Structure |
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| Formula |
C18H12F2N8
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| Molecular Weight |
378.346
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C18H12F2N8/c1-27-10-12(8-23-27)15-9-22-17-25-24-16(28(17)26-15)18(19,20)13-4-5-14-11(7-13)3-2-6-21-14/h2-10H,1H3
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| InChIKey |
ACOJXRCLGVKBMW-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