General Information of the Compound
| Compound ID |
CP0114016
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| Compound Name |
N-[4-[[2-[6-(trifluoromethyl)pyridin-2-yl]-7H-purin-6-yl]amino]pyridin-2-yl]acetamide
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| Structure |
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| Formula |
C18H13F3N8O
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| Molecular Weight |
414.351
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| Canonical SMILES |
CC(=O)Nc1cc(Nc2nc(nc3[nH]cnc23)-c2cccc(n2)C(F)(F)F)ccn1
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| InChI |
InChI=1S/C18H13F3N8O/c1-9(30)25-13-7-10(5-6-22-13)26-17-14-16(24-8-23-14)28-15(29-17)11-3-2-4-12(27-11)18(19,20)21/h2-8H,1H3,(H3,22,23,24,25,26,28,29,30)
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| InChIKey |
GJWRNXGORZZUIM-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