Structure

InChI Key QNTASHOAVRSLMD-GYKMGIIDSA-N
Smile CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H45NO
Molecular Weight 399.66
AlogP 7.86
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 32.59
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Amyotrophic Lateral Sclerosis 3 D000690 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Peripheral Nervous System Diseases 2 D010523 ClinicalTrials
Muscular Atrophy, Spinal 2 D009134 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 1 D020529 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545254
FDA SRS A6778U5IFY
Guide to Pharmacology 8542
ZINC ZINC000252672791