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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324204
CHEMBL2324204
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H43N9O7

Additional synonyms for CHEMBL2324204 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC ...
Download SMILES
Standard InChI InChI=1S/C35H43N9O7/c36-25(13-14-30(45)46)31(47)42-29(18-23- ...
Download InChI
Standard InChI Key NGBDRUKCEWTPAF-YXINZVNLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324204

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
701.8 701.3285 0.52 18 277.64 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 11 2 16 13 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.24 13.33 1.64 -1.71 4 51 0.02

Structural Alerts

There are 12 structural alerts for CHEMBL2324204. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NGBDRUKCEWTPAF-YXINZVNLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324204



BindingDB 50427700
PubChem 71718080
ZINC ZINC000095583984

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