TEGLARINAD

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NUG9P5GWZB

Structure
InChI Key RXXJCNMVVRGOJB-UHFFFAOYSA-O
Smile COCCOCCOCCOCCOC(=O)OC[n+]1ccc(N/C(=N/CCCCCCOc2ccc(Cl)cc2)NC#N)cc1
InChI
InChI=1S/C30H42ClN5O8/c1-38-16-17-39-18-19-40-20-21-41-22-23-43-30(37)44-25-36-13-10-27(11-14-36)35-29(34-24-32)33-12-4-2-3-5-15-42-28-8-6-26(31)7-9-28/h6-11,13-14H,2-5,12,15-23,25H2,1H3,(H,33,34)/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H43ClN5O8+
Molecular Weight 637.15
AlogP 3.91
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 23.0
Polar Surface Area 145.77
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 44.0

Cross References

Resources Reference
ChEMBL CHEMBL1181731
FDA SRS NUG9P5GWZB
PubChem 9961435
SureChEMBL SCHEMBL17074712
ZINC ZINC000003961863
CONTENTS