NM-404 I-131

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R048696O9L

Structure
InChI Key ZOAIEFWMQLYMTF-YRKXUXMHSA-N
Smile C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCc1ccc([131I])cc1
InChI
InChI=1S/C29H53INO4P/c1-31(2,3)25-27-35-36(32,33)34-26-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-28-21-23-29(30)24-22-28/h21-24H,4-20,25-27H2,1-3H3/i30+4

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H53INO4P
Molecular Weight 641.63
AlogP 8.28
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 24.0
Polar Surface Area 58.59
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 36.0

Cross References

Resources Reference
ChEMBL CHEMBL4297495
DrugBank DB15244
FDA SRS R048696O9L
PubChem 16045365
CONTENTS