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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1271577
CHEMBL1271577
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H30N4O2

Additional synonyms for CHEMBL1271577 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)c1ccc2\C(=C(\Nc3ccc(CCN(C)C)cc3)/c4ccccc4)\C(=O)Nc2c ...
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Standard InChI InChI=1S/C28H30N4O2/c1-4-29-27(33)21-12-15-23-24(18-21)31-28 ...
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Standard InChI Key LBZFXCHCPXGOBO-QPLCGJKRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1271577

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
454.6 454.2369 4.47 8 73.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.33 9.47 2.9 .73 3 34 0.44

Structural Alerts

There are 3 structural alerts for CHEMBL1271577. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LBZFXCHCPXGOBO-QPLCGJKRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1271577



PubChem 49788423
PubChem: Thomson Pharma 103063427
ZINC ZINC000101372876

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