General Information of the Compound
| Compound ID |
CP0340167
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| Compound Name |
6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
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| Structure |
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| Formula |
C21H19N9
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| Molecular Weight |
397.446
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| Canonical SMILES |
C(c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cnn(c1)[C@@H]1CCNC1
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| InChI |
InChI=1S/C21H19N9/c1-2-15-8-14(3-4-18(15)23-6-1)12-30-21-20(27-28-30)24-11-19(26-21)16-9-25-29(13-16)17-5-7-22-10-17/h1-4,6,8-9,11,13,17,22H,5,7,10,12H2/t17-/m1/s1
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| InChIKey |
APDIXVQXPVLGGS-QGZVFWFLSA-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