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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2323626
CHEMBL2323626
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H31N5O2

Additional synonyms for CHEMBL2323626 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNc1ccc2ccc(cc2n1)C(=O)N3CCC4(CC3)CC(=O)c5nn(cc5C4)C(C)(C)C
Standard InChI InChI=1S/C26H31N5O2/c1-25(2,3)31-16-19-14-26(15-21(32)23(19) ...
Download InChI
Standard InChI Key LOMMVSNHQQDMLI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2323626

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
445.6 445.2478 4.28 2 80.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.87 2.55 2.53 3 33 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL2323626. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LOMMVSNHQQDMLI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2323626



BindingDB 50426521
PubChem 71718672
ZINC ZINC000095581932

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