General Information of the Compound
| Compound ID |
CP0544747
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| Compound Name |
3-propan-2-yl-7-(3,4,5-trimethoxyanilino)-2H-pyrazolo[3,4-c]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C19H21N5O3
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| Molecular Weight |
367.409
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| Canonical SMILES |
COc1cc(Nc2nc(cc3c(n[nH]c23)C(C)C)C#N)cc(OC)c1OC
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| InChI |
InChI=1S/C19H21N5O3/c1-10(2)16-13-6-12(9-20)22-19(17(13)24-23-16)21-11-7-14(25-3)18(27-5)15(8-11)26-4/h6-8,10H,1-5H3,(H,21,22)(H,23,24)
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| InChIKey |
ZKRZYUNDJIOAPW-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: PT01279, Adenosine receptor A3