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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3099497
CHEMBL3099497
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H43N5

Additional synonyms for CHEMBL3099497 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cccc2c(NCCCCCCCCNc3c4CCCCc4nc5ccccc35)c6CCCCc6nc12
Standard InChI InChI=1S/C34H43N5/c35-28-18-13-17-27-33(26-16-7-10-21-31(26) ...
Download InChI
Standard InChI Key GVQOVWDFVYXHFJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3099497

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
521.8 521.3518 7.99 11 75.86 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 2 5 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.1 8.16 6.21 4 39 0.14

Structural Alerts

There are 10 structural alerts for CHEMBL3099497. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GVQOVWDFVYXHFJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3099497



BindingDB 50005192
PubChem 72725439
ZINC ZINC000103228736

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