Structure

InChI Key ZDHCJEIGTNNEMY-XGXHKTLJSA-N
Smile CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChI
InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12,15-18,22H,3-11H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H30O2
Molecular Weight 302.46
AlogP 4.27
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135282
ChEMBL CHEMBL1697845
DrugBank DB12787
DrugCentral 1961
EPA CompTox DTXSID0023379
FDA SRS P7W01638W6
PubChem 5858
SureChEMBL SCHEMBL147638
ZINC ZINC000003875356