Structure

InChI Key FRPJXPJMRWBBIH-RBRWEJTLSA-N
Smile C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
InChI
InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H31Cl2NO3
Molecular Weight 440.41
AlogP 5.18
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 49.77
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms 3 D011471 ClinicalTrials
Prostatic Neoplasms 3 D011471 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 2998-57-4
ChEBI 4868
ChEMBL CHEMBL1575
DrugBank DB01196
DrugCentral 1065
EPA CompTox DTXSID8046458
FDA SRS 35LT29625A
Human Metabolome Database HMDB0015327
Guide to Pharmacology 9076
KEGG C11228
PubChem 259331
SureChEMBL SCHEMBL4252
ZINC ZINC000004099032