General Information of the Compound
| Compound ID |
CP0376412
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| Compound Name |
N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C24H18N6O2
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| Molecular Weight |
422.448
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(NC(=O)c2ccncc2)c2nn(cc2n1)-c1ccccc1
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| InChI |
InChI=1S/C24H18N6O2/c1-32-19-9-7-16(8-10-19)22-26-20-15-30(18-5-3-2-4-6-18)29-21(20)23(27-22)28-24(31)17-11-13-25-14-12-17/h2-15H,1H3,(H,26,27,28,31)
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| InChIKey |
MHACINSCPZTLKI-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: PT01279, Adenosine receptor A3
Protein ID: PT01827, Adenosine receptor A3