General Information of the Compound
| Compound ID |
CP0488141
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| Compound Name |
3-(2-Bromo-4-isopropyl-phenyl)-7-(2-ethoxy-1-ethoxymethyl-ethoxy)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
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| Structure |
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| Formula |
C21H28BrN5O3
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| Molecular Weight |
478.391
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| Canonical SMILES |
CCOCC(COCC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C21H28BrN5O3/c1-6-28-11-16(12-29-7-2)30-21-19-20(23-14(5)24-21)27(26-25-19)18-9-8-15(13(3)4)10-17(18)22/h8-10,13,16H,6-7,11-12H2,1-5H3
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| InChIKey |
UWTVHPBHPJTZDD-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