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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1271472
CHEMBL1271472
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H32N4O2

Additional synonyms for CHEMBL1271472 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)c1ccc2\C(=C(\Nc3ccc(CN4CCCCC4)cc3)/c5ccccc5)\C(=O)Nc ...
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Standard InChI InChI=1S/C30H32N4O2/c1-2-31-29(35)23-13-16-25-26(19-23)33-30 ...
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Standard InChI Key LMAUBLPXDXVPSK-DQSJHHFOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1271472

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 5.35 7 73.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 1 6 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.32 9.23 3.78 1.98 3 36 0.4

Structural Alerts

There are 3 structural alerts for CHEMBL1271472. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LMAUBLPXDXVPSK-DQSJHHFOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1271472



PubChem 23506832
PubChem: Thomson Pharma 103063186
SureChEMBL SCHEMBL3151882
ZINC ZINC000101372789

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