General Information of the Compound
| Compound ID |
CP0418076
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| Compound Name |
ethyl 6-[bis(4-bromobenzoyl)amino]-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate
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| Structure |
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| Formula |
C23H17Br2N5O4
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| Molecular Weight |
587.228
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| Canonical SMILES |
CCOC(=O)c1nc(nc2nn(C)cc12)N(C(=O)c1ccc(Br)cc1)C(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C23H17Br2N5O4/c1-3-34-22(33)18-17-12-29(2)28-19(17)27-23(26-18)30(20(31)13-4-8-15(24)9-5-13)21(32)14-6-10-16(25)11-7-14/h4-12H,3H2,1-2H3
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| InChIKey |
CHJWVVPHWBGCQC-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3