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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL223876
CHEMBL223876
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H29N5O4

Additional synonyms for CHEMBL223876 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)c1nc(C[C@H](NC(=O)[C@@H]2CCC(=O)C2)C(=O)N3CCC[C@H]3C(=O ...
Download SMILES
Standard InChI InChI=1S/C20H29N5O4/c1-11(2)18-22-10-13(23-18)9-15(24-19(28) ...
Download InChI
Standard InChI Key HFMCVIZOMVYWSL-KCXAZCMYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL223876

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
403.5 403.222 -0.2 7 138.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.66 7.32 -2.51 -2.93 1 29 0.58

Structural Alerts

There are 1 structural alerts for CHEMBL223876. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HFMCVIZOMVYWSL-KCXAZCMYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL223876



BindingDB 50196450
PubChem 44422097
ZINC ZINC000028640128

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