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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1272078
CHEMBL1272078
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H32N4O2

Additional synonyms for CHEMBL1272078 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(CN4CCCCC4)cc3)\c5ccccc5) ...
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Standard InChI InChI=1S/C30H32N4O2/c1-33(2)30(36)23-13-16-26-25(19-23)27(29 ...
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Standard InChI Key ZSYCMROIKWLLQN-DQSJHHFOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1272078

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
480.6 480.2525 5.31 6 64.68 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.55 9.25 3.7 1.89 3 36 0.47

Structural Alerts

There are 3 structural alerts for CHEMBL1272078. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZSYCMROIKWLLQN-DQSJHHFOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1272078



PubChem 9826461
PubChem: Thomson Pharma 14785648
SureChEMBL SCHEMBL6979098
ZINC ZINC000003962253

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