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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL56974
CHEMBL56974
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H34F2N6O5

Additional synonyms for CHEMBL56974 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N3CCN(CC3)c4ccccc4C ...
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Standard InChI InChI=1S/C31H34F2N6O5/c1-43-18-25-27(29(40)44-2)28(19-7-10-2 ...
Download InChI
Standard InChI Key SOUVKJLYRGDDOT-XJGOYTCSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL56974

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
608.7 608.2559 3.43 7 127.24 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 11 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.69 7.38 4.45 4.38 2 44 0.46

Structural Alerts

There are 1 structural alerts for CHEMBL56974. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SOUVKJLYRGDDOT-XJGOYTCSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL56974



BindingDB 50091715
Nikkaji J1.383.654J
PubChem 44299973
ZINC ZINC000029561206

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