General Information of the Compound
| Compound ID |
CP0487365
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| Compound Name |
1-{3-Bromo-4-[7-(butyl-ethyl-amino)-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-phenyl}-ethanone
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| Structure |
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| Formula |
C19H23BrN6O
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| Molecular Weight |
431.338
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| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)=O
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| InChI |
InChI=1S/C19H23BrN6O/c1-5-7-10-25(6-2)18-17-19(22-13(4)21-18)26(24-23-17)16-9-8-14(12(3)27)11-15(16)20/h8-9,11H,5-7,10H2,1-4H3
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| InChIKey |
LHACSQFSEYJMAB-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