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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2407970
CHEMBL2407970
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H34N4O4

Additional synonyms for CHEMBL2407970 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1cc(CN2CCN(CC2)c3ccc(cc3C)C(=O)NC4CC4)cc5NC(=O)C(C)Oc15
Standard InChI InChI=1S/C27H34N4O4/c1-4-34-24-15-19(14-22-25(24)35-18(3)26( ...
Download InChI
Standard InChI Key OHMYSVJORRMTHQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2407970

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
478.6 478.258 3.32 7 83.14 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.25 5.93 2.28 2.28 2 35 0.64

Structural Alerts

There are no structural alerts for CHEMBL2407970

Compound Cross References

ChemSpider ChemSpider:OHMYSVJORRMTHQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2407970



BindingDB 50438230
PubChem 66716876
SureChEMBL SCHEMBL532064

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