Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R07AB07
UNII: 9A1222NBG4

Structure

InChI Key OBDOVFRMEYHSQB-UHFFFAOYSA-N
Smile C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1
InChI
InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H29F2N7
Molecular Weight 477.56
AlogP 4.26
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 69.21
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Respiratory Insufficiency 3 D012131 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 53778
ChEMBL CHEMBL1183717
DrugBank DB01430
DrugCentral 127
EPA CompTox DTXSID4057899
FDA SRS 9A1222NBG4
Human Metabolome Database HMDB0015499
PharmGKB PA164750492
PubChem 33887
SureChEMBL SCHEMBL769301
ZINC ZINC000004214772