ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

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

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

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
eMolecules 27678625 594077
IBM Patent System 941440BB4FA0BAC0B5B580F47D0C3E12
IBM Patents US6258577 US20040006040 US20030143265 WO2010103215A1 US20080113993 US20060063224 US20030201160 US20030073650 WO2010019208A1 US7498156 US20060252113 US20060252112 US6955890 US20050282143 US20030162751 US20030215785 US20040023201 US20080267948 US20010024781 US20030161871 US20060178320 US6268120 US20030229108 US20030186213 US7186543 US7183045 US20060178321 US20060178322 US20060094075 US20030180830
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
spacer