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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL144472
CHEMBL144472
Compound Name NILE RED
ChEMBL Synonyms Nile Red
Max Phase 0
Trade Names
Molecular Formula C20H18N2O2

Additional synonyms for CHEMBL144472 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)c1ccc2N=C3C(=CC(=O)c4ccccc34)Oc2c1
Standard InChI InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12 ...
Download InChI
Standard InChI Key VOFUROIFQGPCGE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL144472

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
318.4 318.1368 3.89 3 41.9 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.08 3.44 3.44 2 24 0.86

Structural Alerts

There are 4 structural alerts for CHEMBL144472. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VOFUROIFQGPCGE-UHFFFAOYSA-N
PubChem SID: 49667969
Wikipedia Nile_red

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL144472



ACToR 7385-67-3 72506-41-3
BindingDB 61121
Brenda 71495
ChEBI 52169
eMolecules 529664
EPA CompTox Dashboard DTXSID7064653
FDA SRS P476F1L81G
IBM Patent System 438C26DC8648EFEBABA52985A749B69F
Mcule MCULE-4407547965
MolPort MolPort-001-823-570
Nikkaji J278.800D
PubChem 65182
PubChem: Thomson Pharma 125294833
SureChEMBL SCHEMBL49047
ZINC ZINC000004252847

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