MIP-1095 I-123

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: HD4940602J

Structure
InChI Key LFEGKCKGGNXWDV-NKNRFTOXSA-N
Smile O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc([123I])cc1)C(=O)O)C(=O)O
InChI
InChI=1S/C19H25IN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1/i20-4

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25IN4O8
Molecular Weight 560.33
AlogP 1.65
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 13.0
Polar Surface Area 194.16
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 32.0

Cross References

Resources Reference
ChEMBL CHEMBL498623
DrugBank DB12994
EPA CompTox DTXSID60241699
FDA SRS HD4940602J
PubChem 25168442
SureChEMBL SCHEMBL12925108
ZINC ZINC000101669568
CONTENTS