General Information of the Compound
| Compound ID |
CP0546208
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| Compound Name |
N-(5-anilino-1-methylpyrazolo[3,4-c]pyridin-3-yl)benzamide
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| Structure |
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| Formula |
C20H17N5O
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| Molecular Weight |
343.39
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| Canonical SMILES |
Cn1nc(NC(=O)c2ccccc2)c2cc(Nc3ccccc3)ncc12
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| InChI |
InChI=1S/C20H17N5O/c1-25-17-13-21-18(22-15-10-6-3-7-11-15)12-16(17)19(24-25)23-20(26)14-8-4-2-5-9-14/h2-13H,1H3,(H,21,22)(H,23,24,26)
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| InChIKey |
YLOYXGAZLBJFMU-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