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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1824263
CHEMBL1824263
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H29N3O4

Additional synonyms for CHEMBL1824263 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [11CH3]N1C(=O)c2cc(OC)ccc2N=C1c3ccc(OCC(O)CNC(C)(C)C)cc3
Standard InChI InChI=1S/C23H29N3O4/c1-23(2,3)24-13-16(27)14-30-17-8-6-15(7- ...
Download InChI
Standard InChI Key NJLURZOPCFJTSE-NUTRPMROSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1824263

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
411.5 411.2158 2.74 7 85.61 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.82 9.45 3.26 1.16 3 30 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL1824263. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NJLURZOPCFJTSE-NUTRPMROSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1824263



PubChem 56668955

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