General Information of the Compound
| Compound ID |
CP0421351
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| Compound Name |
3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
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| Structure |
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| Formula |
C16H17N7S
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| Molecular Weight |
339.428
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| Canonical SMILES |
CC(C)(C)Cc1nsc2cc(Nc3n[nH]c4nccnc34)cnc12
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| InChI |
InChI=1S/C16H17N7S/c1-16(2,3)7-10-12-11(24-23-10)6-9(8-19-12)20-15-13-14(21-22-15)18-5-4-17-13/h4-6,8H,7H2,1-3H3,(H2,18,20,21,22)
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| InChIKey |
VATJPQOQBFXIKB-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