SQUALAMINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: F8PO54Z4V7

Structure
InChI Key UIRKNQLZZXALBI-MSVGPLKSSA-N
Smile CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](NCCCNCCCCN)C[C@@H]1C[C@H]3O)OS(=O)(=O)O
InChI
InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H65N3O5S
Molecular Weight 627.98
AlogP 5.55
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 16.0
Polar Surface Area 133.91
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 43.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 80765
ChEMBL CHEMBL444929
DrugBank DB06461
EPA CompTox DTXSID40869971
FDA SRS F8PO54Z4V7
Guide to Pharmacology 10861
KEGG C16841
PubChem 72495
SureChEMBL SCHEMBL12836
ZINC ZINC000030160243
CONTENTS