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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1309552
CHEMBL1309552
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H28O

Additional synonyms for CHEMBL1309552 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC=C2
Standard InChI InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-1 ...
Download InChI
Standard InChI Key HFVMLYAGWXSTQI-QYXZOKGRSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1309552

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
272.4 272.214 3.96 0 17.07 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.57 5.57 0 20 0.61

Structural Alerts

There are 2 structural alerts for CHEMBL1309552. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HFVMLYAGWXSTQI-QYXZOKGRSA-N
PubChem SID: 11532985 SID: 144206107 SID: 50112813
Wikipedia Androstenone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1309552



ACToR 18339-16-7
ChEBI 37894
eMolecules 534648 30488013
EPA CompTox Dashboard DTXSID0040965
FDA SRS BWD3D5941J
IBM Patent System 57E4FB2CAAFB57EE196BF4C81405FC73
LipidMaps LMST02020079
MolPort MolPort-003-940-301
Nikkaji J47.318I
PubChem 6852393
PubChem: Thomson Pharma 24908741
SureChEMBL SCHEMBL219128
ZINC ZINC04352602

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