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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL207657
CHEMBL207657
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H48O4

Additional synonyms for CHEMBL207657 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@@H] ...
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Standard InChI InChI=1S/C30H48O4/c1-25(2)13-14-26(3)15-16-30(24(33)34)19(20 ...
Download InChI
Standard InChI Key HQGWITLOHQUPBL-NFHCHMPHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL207657

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
472.7 472.3553 6.21 2 77.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 1 4 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.46 - 6.64 3.76 0 34 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL207657. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HQGWITLOHQUPBL-NFHCHMPHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL207657



BindingDB 50185120
PubChem 44411959

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