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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2179771
CHEMBL2179771
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H31N3O2

Additional synonyms for CHEMBL2179771 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)c1ccc(cc1)C(NC(=O)Cc2ccccc2)NC(=O)Cc3ccccc3
Standard InChI InChI=1S/C27H31N3O2/c1-3-30(4-2)24-17-15-23(16-18-24)27(28-2 ...
Download InChI
Standard InChI Key UBCZXHSQAKQJEQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2179771

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
429.6 429.2416 4.25 10 61.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.21 5.24 5.22 3 32 0.47

Structural Alerts

There are 6 structural alerts for CHEMBL2179771. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UBCZXHSQAKQJEQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2179771



BindingDB 50399120
Nikkaji J3.325.311G
PubChem 71451976
PubChem: Thomson Pharma 163502090
ZINC ZINC000095576840

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