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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL520535
CHEMBL520535
Compound Name CAMPESTEROL
ChEMBL Synonyms Campesterol
Max Phase 0
Trade Names
Molecular Formula C28H48O

Additional synonyms for CHEMBL520535 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O) ...
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Standard InChI InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-2 ...
Download InChI
Standard InChI Key SGNBVLSWZMBQTH-PODYLUTMSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL520535. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL520535

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
400.7 400.3705 7.63 5 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 9.97 9.97 0 29 0.47

Compound Cross References

ChemSpider ChemSpider:SGNBVLSWZMBQTH-PODYLUTMSA-N
Wikipedia Campesterol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL520535



ACToR 474-60-2
ChEBI 28623
eMolecules 36757272
FDA SRS 5L5O665639
IBM Patent System 3DB993939C4D93C3AC3B0CA01008506F
IBM Patents US5725803 EP0274147A2 WO2000061096A1 WO1998042188A1 US4062729 EP0783514A1 WO1998051302A1 US4425429 US4112218 US5827531 EP0401952A2 US5023249 US4101652 EP0581842B1 WO1999029320A1 WO1999029299A1 US5635165 EP0089205A2 US5965449 WO1999032097A2 US6139872 US6025348 US4198276 EP1048704A1 EP0631500B1 WO1999059421A1 EP0322081A1 US4429041 WO2000078789A1 WO1999059556A1 US4320195 US4264578 WO2000015201A2 US4097335 EP1037607A1 US4345029 WO2000052029A1 US4604281 US4343797 US6160143 EP1004594A1 US4057469 US5096629 WO2000069404A1 EP0607245B1 US4738952 WO2000061189A2 US4042459 WO1999047113A1 US5158944 US4263103 US4124607 WO1998038206A1 EP0016380A1 US4039381 EP0897671A1 US5445811 EP0980203A1 US4443541 WO2000061694A1 US5219733 WO1993014763A1 US4612187 EP1037634A1 US5004737 WO1999063031A1 WO1998057545A1 EP0879892A1 US4304860 WO2000033669A1 EP0914329A2 US4175006 EP0413828B1 US4029549 US5985936 WO1999059555A1 US4192811 US4565646 US4613359 US4035236 WO1999044442A1 US6087353 US4101378 EP0967982A2 EP0948265A1 WO2000061771A2 WO1996010033A1 US4411882 EP1044676A2 US5856202 US4211841 US4374776 US4963346 WO1998006714A1 US5260284 US4481186 US5298398 WO1999058549A1 EP0004913A1 EP0608600A1
KEGG Ligand C01789
Nikkaji J5.962E
PubChem 173183
PubChem: Drugs of the Future 56310600
PubChem: Thomson Pharma 16380182
SureChEMBL SCHEMBL94161
ZINC ZINC04095721

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