General Information of the Compound
| Compound ID |
CP0548635
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| Compound Name |
3-(2,4-dibromophenyl)-N,N-bis(2-methoxyethyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C17H20Br2N6O2
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| Molecular Weight |
500.195
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| Canonical SMILES |
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(Br)cc1Br
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| InChI |
InChI=1S/C17H20Br2N6O2/c1-11-20-16(24(6-8-26-2)7-9-27-3)15-17(21-11)25(23-22-15)14-5-4-12(18)10-13(14)19/h4-5,10H,6-9H2,1-3H3
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| InChIKey |
RXOLIHRNNSQJCZ-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