ABTL-0812

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0DE74TJ7EZ

Structure
InChI Key AFDSETGKYZMEEA-UHFFFAOYSA-N
Smile CCCCCC=CCC=CCCCCCCC(O)C(=O)O
InChI
InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H32O3
Molecular Weight 296.45
AlogP 4.86
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 57.53
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297343
FDA SRS 0DE74TJ7EZ
PubChem 21158511
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