General Information of the Compound
| Compound ID |
CP0085064
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| Compound Name |
6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
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| Structure |
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| Formula |
C15H12N6
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| Molecular Weight |
276.303
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| Canonical SMILES |
Cc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C15H12N6/c1-10-8-17-14-15(18-10)21(20-19-14)9-11-4-5-13-12(7-11)3-2-6-16-13/h2-8H,9H2,1H3
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| InChIKey |
WJNDOCURIXGUPV-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