General Information of the Compound
| Compound ID |
CP0546191
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| Compound Name |
2-anilino-N-(5-anilino-1H-pyrazolo[3,4-c]pyridin-3-yl)acetamide
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| Structure |
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| Formula |
C20H18N6O
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| Molecular Weight |
358.405
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| Canonical SMILES |
O=C(CNc1ccccc1)Nc1n[nH]c2cnc(Nc3ccccc3)cc12
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| InChI |
InChI=1S/C20H18N6O/c27-19(13-21-14-7-3-1-4-8-14)24-20-16-11-18(22-12-17(16)25-26-20)23-15-9-5-2-6-10-15/h1-12,21H,13H2,(H,22,23)(H2,24,25,26,27)
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| InChIKey |
MYBPJNFBBWLYQS-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