General Information of the Compound
| Compound ID |
CP0395638
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| Compound Name |
N-benzoyl-N-(4-chloro-2-methylpyrazolo[3,4-d]pyrimidin-6-yl)benzamide
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| Structure |
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| Formula |
C20H14ClN5O2
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| Molecular Weight |
391.818
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| Canonical SMILES |
Cn1cc2c(Cl)nc(nc2n1)N(C(=O)c1ccccc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C20H14ClN5O2/c1-25-12-15-16(21)22-20(23-17(15)24-25)26(18(27)13-8-4-2-5-9-13)19(28)14-10-6-3-7-11-14/h2-12H,1H3
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| InChIKey |
USMJUPVFZQJKFF-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