General Information of the Compound
| Compound ID |
CP0537767
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| Compound Name |
5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine
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| Structure |
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| Formula |
C21H19ClN4O3
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| Molecular Weight |
410.861
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| Canonical SMILES |
COc1cc(Nc2nc(Cl)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
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| InChI |
InChI=1S/C21H19ClN4O3/c1-27-15-9-13(10-16(28-2)20(15)29-3)23-21-19-14(11-17(22)24-21)18(25-26-19)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,23,24)(H,25,26)
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| InChIKey |
FVTLWADEYARHQD-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