General Information of the Compound
| Compound ID |
CP0436358
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| Compound Name |
Butyl-[3-(2,4-dibromo-phenyl)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-ethyl-amine
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| Structure |
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| Formula |
C17H20Br2N6
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| Molecular Weight |
468.197
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| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1ccc(Br)cc1Br
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| InChI |
InChI=1S/C17H20Br2N6/c1-4-6-9-24(5-2)16-15-17(21-11(3)20-16)25(23-22-15)14-8-7-12(18)10-13(14)19/h7-8,10H,4-6,9H2,1-3H3
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| InChIKey |
MGRGCCUUNGWETM-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