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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2043005
CHEMBL2043005
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H28N6O2

Additional synonyms for CHEMBL2043005 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(C3=O)c4ccc(cc4)c5ccccc5)c6nccc ...
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Standard InChI InChI=1S/C30H28N6O2/c1-22-7-5-16-31-26(22)21-34-19-14-30(15- ...
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Standard InChI Key FIMHRJKSKVXMEB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2043005

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
504.6 504.2274 4.86 5 82.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 1 8 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7 5.03 4.94 4 38 0.36

Structural Alerts

There are 1 structural alerts for CHEMBL2043005. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FIMHRJKSKVXMEB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2043005



BindingDB 50385833
PubChem 57386523
PubChem: Thomson Pharma 136916478
ZINC ZINC000084652045

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