General Information of the Compound
| Compound ID |
CP0537775
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| Compound Name |
1-[7-(cyclohexylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]-3-phenylurea
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| Structure |
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| Formula |
C20H24N6O
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| Molecular Weight |
364.453
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| Canonical SMILES |
Cn1nc(NC(=O)Nc2ccccc2)c2ccnc(NC3CCCCC3)c12
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| InChI |
InChI=1S/C20H24N6O/c1-26-17-16(12-13-21-19(17)22-14-8-4-2-5-9-14)18(25-26)24-20(27)23-15-10-6-3-7-11-15/h3,6-7,10-14H,2,4-5,8-9H2,1H3,(H,21,22)(H2,23,24,25,27)
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| InChIKey |
XXOSYNDAOHAYJW-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