Structure

InChI Key IIBBJCNVTRCTDV-QYQHSDTDSA-N
Smile CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(-c3nnn[nH]3)c2)c1O
InChI
InChI=1S/C25H22N8O2/c1-14-10-11-19(12-15(14)2)33-25(35)22(16(3)30-33)27-26-21-9-5-8-20(23(21)34)17-6-4-7-18(13-17)24-28-31-32-29-24/h4-13,26,34H,1-3H3,(H,28,29,31,32)/b27-22-

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H22N8O2
Molecular Weight 466.51
AlogP 4.05
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 131.75
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Purpura, Thrombocytopenic, Idiopathic 2 D016553 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545303
FDA SRS 83D6475CAW
SureChEMBL SCHEMBL164331
ZINC ZINC000113235757