General Information of the Compound
| Compound ID |
CP0285073
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| Compound Name |
6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
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| Structure |
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| Formula |
C19H20N8
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| Molecular Weight |
360.425
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| Canonical SMILES |
CN1CCN(CC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C19H20N8/c1-25-7-9-26(10-8-25)17-12-21-18-19(22-17)27(24-23-18)13-14-4-5-16-15(11-14)3-2-6-20-16/h2-6,11-12H,7-10,13H2,1H3
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| InChIKey |
YPNULYBRDBURME-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