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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2041188
CHEMBL2041188
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H30N6O4

Additional synonyms for CHEMBL2041188 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(C3=O)c4ccc(cc4)c5ccc(cc5C)C(=O ...
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Standard InChI InChI=1S/C32H30N6O4/c1-21-5-3-14-33-27(21)20-36-17-12-32(13- ...
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Standard InChI Key MTFKYKNIAONGHD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2041188

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
562.6 562.2329 4.86 6 119.83 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 1 10 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.29 7 4.87 2.13 4 42 0.33

Structural Alerts

There are 1 structural alerts for CHEMBL2041188. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MTFKYKNIAONGHD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2041188



BindingDB 50385801
PubChem 57387541
PubChem: Thomson Pharma 136917555
SureChEMBL SCHEMBL15418981
ZINC ZINC000084725908

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