General Information of the Compound
| Compound ID |
CP0415742
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| Compound Name |
N-benzoyl-N-[4-chloro-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzamide
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| Structure |
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| Formula |
C24H22ClN5O2
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| Molecular Weight |
447.926
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| Canonical SMILES |
CC(C)(C)Cn1cc2c(Cl)nc(nc2n1)N(C(=O)c1ccccc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C24H22ClN5O2/c1-24(2,3)15-29-14-18-19(25)26-23(27-20(18)28-29)30(21(31)16-10-6-4-7-11-16)22(32)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3
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| InChIKey |
WMSDTOVBIPFBNO-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