General Information of the Compound
| Compound ID |
CP0544746
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| Compound Name |
7-anilino-3-phenyl-1H-pyrazolo[3,4-c]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C19H13N5
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| Molecular Weight |
311.348
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| Canonical SMILES |
N#Cc1cc2c(n[nH]c2c(Nc2ccccc2)n1)-c1ccccc1
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| InChI |
InChI=1S/C19H13N5/c20-12-15-11-16-17(13-7-3-1-4-8-13)23-24-18(16)19(22-15)21-14-9-5-2-6-10-14/h1-11H,(H,21,22)(H,23,24)
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| InChIKey |
JZZUNCXKCLNTHB-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