General Information of the Compound
| Compound ID |
CP0193863
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| Compound Name |
6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
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| Structure |
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| Formula |
C22H21N9
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| Molecular Weight |
411.473
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| Canonical SMILES |
C(c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cnn(c1)C1CCNCC1
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| InChI |
InChI=1S/C22H21N9/c1-2-16-10-15(3-4-19(16)24-7-1)13-31-22-21(28-29-31)25-12-20(27-22)17-11-26-30(14-17)18-5-8-23-9-6-18/h1-4,7,10-12,14,18,23H,5-6,8-9,13H2
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| InChIKey |
IFAQDDNLMPFIAG-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