General Information of the Compound
| Compound ID |
CP0519052
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| Compound Name |
US8796284, 1
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| Synonyms |
1337962-47-6
5-Bromo-2,6-di(1H-pyrazol-1-yl)pyrimidin-4-amine
5-bromo-2,6-di(1H-pyrazol-1-yl)pyrimidin-4-amine
AKOS030527812
ATFXVNUWQOXRRU-UHFFFAOYSA-N
BDBM128295
CHEMBL3694769
DS-19509
PBF509
SCHEMBL2546228
US8796284, 1
ZINC72317391
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| Structure |
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| Formula |
C10H8BrN7
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| Molecular Weight |
306.127
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| Canonical SMILES |
Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1
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| InChI |
InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
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| InChIKey |
ATFXVNUWQOXRRU-UHFFFAOYSA-N
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| CAS |
1337962-47-6
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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
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Clinical Information about the Compound