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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL196228
CHEMBL196228
Compound Name EPITESTOSTERONE
ChEMBL Synonyms Epitestosterone
Max Phase 0
Trade Names
Molecular Formula C19H28O2

Additional synonyms for CHEMBL196228 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
Standard InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17( ...
Download InChI
Standard InChI Key MUMGGOZAMZWBJJ-KZYORJDKSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL196228

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
288.4 288.2089 3.47 0 37.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.18 3.18 0 21 0.74

Structural Alerts

There are 2 structural alerts for CHEMBL196228. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MUMGGOZAMZWBJJ-KZYORJDKSA-N
PubChem SID: 144204609
Wikipedia Epitestosterone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL196228



ACToR 481-30-1
BindingDB 50410492
Brenda 49669 152126 151086 30545 29308 2140
ChEBI 42534
DrugBank DB07768
eMolecules 29549804 538110
EPA CompTox Dashboard DTXSID8022329
FDA SRS 48L726977Z
Human Metabolome Database HMDB0000628
IBM Patent System 47FD79F891DC0CD7BF7E9D02E9182D9C
LINCS LSM-2564
LipidMaps LMST02020051
Metabolights MTBLC42534
Nikkaji J12.325K
PDBe FFA
PubChem 10204
PubChem: Thomson Pharma 14849071
Rhea 42534
SureChEMBL SCHEMBL334193
ZINC ZINC000004538008

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/MUMGGOZAMZWBJJ-KZYORJDKSA-N spacer
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