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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL511565
CHEMBL511565
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H20N4O6

Additional synonyms for CHEMBL511565 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)c2cc1C
Standard InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12( ...
Download InChI
Standard InChI Key AUNGANRZJHBGPY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL511565

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
376.4 376.1383 -0.26 5 155.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.89 - .1 .09 1 27 0.47

Structural Alerts

There are 2 structural alerts for CHEMBL511565. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AUNGANRZJHBGPY-UHFFFAOYSA-N
PubChem SID: 104171347 SID: 124882975 SID: 124882977 SID: 174007252 SID: 26749054 SID: 26753745 SID: 29215176
Wikipedia Riboflavin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL511565



ACToR 13123-37-0
Brenda 27198
eMolecules 27678625 594077
IBM Patent System 941440BB4FA0BAC0B5B580F47D0C3E12
Mcule MCULE-6002277168
MolPort MolPort-001-785-965
Nikkaji J1.920.223B
NMRShiftDB 10008589
PubChem 1072
PubChem: Thomson Pharma 14804331
SureChEMBL SCHEMBL341564

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