Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: F5Y53150C8

Structure

InChI Key ZXOSVKYCXLTVGS-KRWDZBQOSA-N
Smile CC[C@H](C)OC(=O)Cc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
InChI
InChI=1S/C27H31I2NO5/c1-5-17(4)34-24(31)16-23-25(19-10-8-9-11-22(19)35-23)26(32)18-14-20(28)27(21(29)15-18)33-13-12-30(6-2)7-3/h8-11,14-15,17H,5-7,12-13,16H2,1-4H3/t17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H31I2NO5
Molecular Weight 703.35
AlogP 6.48
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 12.0
Polar Surface Area 68.98
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 2 D001281 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105631
DrugBank DB05519
FDA SRS F5Y53150C8
PubChem 9833332
SureChEMBL SCHEMBL1946426