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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL367654
CHEMBL367654
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H35N5O6

Additional synonyms for CHEMBL367654 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)N[C@H](Cc2c[nH]c3cc ...
Download SMILES
Standard InChI InChI=1S/C33H35N5O6/c1-20(36-31(41)23-13-7-4-8-14-23)29(39)3 ...
Download InChI
Standard InChI Key YGCOUPWSNZUAOP-KUOHOMRPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL367654

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
597.7 597.2587 2.33 13 169.49 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 6 2 11 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.5 - 1.62 -1.9 4 44 0.14

Structural Alerts

There are 2 structural alerts for CHEMBL367654. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YGCOUPWSNZUAOP-KUOHOMRPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL367654



PubChem 44384092
ZINC ZINC000028010998

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