General Information of the Compound
| Compound ID |
CP0383482
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| Compound Name |
N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
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| Structure |
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| Formula |
C19H15N5O
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| Molecular Weight |
329.363
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| Canonical SMILES |
Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
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| InChI |
InChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)
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| InChIKey |
QFBYVTZHJZITCY-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000102 | U-87MG ATCC | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 0.41 nM
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TI
LI
LO
TS
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