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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL163574
CHEMBL163574
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H23N5O5

Additional synonyms for CHEMBL163574 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(Cc2ccc(N)cc2)C(=O)c3[nH]c(nc13)c4ccc(OCC(=O)O)cc ...
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Standard InChI InChI=1S/C23H23N5O5/c1-2-11-27-21-19(22(31)28(23(27)32)12-14 ...
Download InChI
Standard InChI Key WSTWMFPZDRAATE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL163574

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
449.5 449.1699 2.06 8 145.23 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 10 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.06 4.34 2.05 -1.62 4 33 0.35

Structural Alerts

There are 4 structural alerts for CHEMBL163574. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WSTWMFPZDRAATE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL163574



BindingDB 50023390
PubChem 14016343
ZINC ZINC000027769214

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