Structure

InChI Key MICLTPPSCUXHJT-UHFFFAOYSA-M
Smile O=C(CCn1cnc2c(=O)[nH]cnc21)Nc1ccc(C(=O)[O-])cc1.[K+]
InChI
InChI=1S/C15H13N5O4.K/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22;/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12KN5O4
Molecular Weight 365.39
AlogP 0.85
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 129.97
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Peripheral Nervous System Diseases 2 D010523 ClinicalTrials
Memory Disorders 1 D008569 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2146108
FDA SRS Q06WU8JY4F
PubChem 23663995
SureChEMBL SCHEMBL194354