General Information of the Compound
| Compound ID |
CP0369250
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| Compound Name |
6-[[5-(4-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
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| Structure |
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| Formula |
C20H13FN6
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| Molecular Weight |
356.364
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| Canonical SMILES |
Fc1ccc(cc1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C20H13FN6/c21-16-6-4-14(5-7-16)18-11-23-19-20(24-18)27(26-25-19)12-13-3-8-17-15(10-13)2-1-9-22-17/h1-11H,12H2
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| InChIKey |
CKFQEUMTXTUBDS-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