Structure

InChI Key ZAKOWWREFLAJOT-ADUHFSDSSA-N
Smile CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChI
InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H52O3
Molecular Weight 472.75
AlogP 9.06
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 13.0
Polar Surface Area 35.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Brachial Plexus Neuropathies 3 D020516 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Cross References

Resources Reference
ChEMBL CHEMBL3989859
FDA SRS 9E8X80D2L0