4-(MORPHOLIN-4-YL)-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ACKJOUNORABCHT-UHFFFAOYSA-N
Smiles C1CN(CCO1)c2ncnc3c2cnn3c4ccccc4
InChI
InChI=1S/C15H15N5O/c1-2-4-12(5-3-1)20-15-13(10-18-20)14(16-11-17-15)19-6-8-21-9-7-19/h1-5,10-11H,6-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15N5O
Molecular Weight 281.31
AlogP 2.07
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 56.07
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL2282835
PubChem 735941
ZINC ZINC00154599
CONTENTS