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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL330186
CHEMBL330186
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H31N3O4

Additional synonyms for CHEMBL330186 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Standard InChI InChI=1S/C20H31N3O4/c1-4-21-18(24)11-8-12-22-19(25)17(13-15( ...
Download InChI
Standard InChI Key YYVPOIBILWMYMW-KRWDZBQOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL330186

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
377.5 377.2315 2.36 11 96.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.22 - 3.27 3.27 1 27 0.52

Structural Alerts

There are 5 structural alerts for CHEMBL330186. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YYVPOIBILWMYMW-KRWDZBQOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL330186



BindingDB 50039993
PubChem 44330944
ZINC ZINC000026748373

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