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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL70625
CHEMBL70625
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H40O3

Additional synonyms for CHEMBL70625 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)CC[C@H]3C(C)(C)Oc2c1
Standard InChI InChI=1S/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13- ...
Download InChI
Standard InChI Key MVEVPDCVOXJVBD-IPNZSQQUSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL70625

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
388.6 388.2977 6.57 7 49.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.82 - 7.2 7.2 1 28 0.52

Structural Alerts

There are 3 structural alerts for CHEMBL70625. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MVEVPDCVOXJVBD-IPNZSQQUSA-N
Wikipedia HU-210

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL70625



BindingDB 50080105
IBM Patent System C15BF57D1A9BF38804EE2F05ECBCA4FA
PubChem 44311448
SureChEMBL SCHEMBL13990796

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