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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL90039
CHEMBL90039
Compound Name BENZOPHENONE
ChEMBL Synonyms Benzophenone
Max Phase 0
Trade Names
Molecular Formula C13H10O

Additional synonyms for CHEMBL90039 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(c1ccccc1)c2ccccc2
Standard InChI InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1- ...
Download InChI
Standard InChI Key RWCCWEUUXYIKHB-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL90039. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL90039

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
182.2 182.0732 3.23 2 17.07 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.21 3.21 2 14 0.65

Compound Cross References

ChemSpider ChemSpider:RWCCWEUUXYIKHB-UHFFFAOYSA-N
PubChem SID: 144207014 SID: 144209623 SID: 144210378 SID: 17389587 SID: 26752803 SID: 49816673
Wikipedia Benzophenone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL90039



ACToR 119-61-9
BindinDB 22726
ChEBI 41308
DrugBank DB01878
eMolecules 480157
FDA SRS 701M4TTV9O
Human Metabolome Database HMDB32049
IBM Patent System EBDC6C2F464EF4E36616C6FBBED18AD9 5D3A0D6716E21BB044876EE5E1F0B909
IBM Patents WO2008027269A2 EP1287061A1 US7799432 US6916867 EP2125960A1 EP1159281B1 US6942878 EP1495182A1 US7462223 US20030216524 US7070269 WO2001034751A1 US6037587 US6492399 US6824707 WO2001019946A1 WO1993010112A1 WO2004000918A1 US20030224294 US5698270 US20080139826 EP1893192A2 US7842842 US7177075 US20070086091 EP0759461A1 WO2003056017A2 US4985333 EP1374330A2 WO2009025980A1 US20030148134 US20060186791 EP1231222B1 WO2006063897A1 WO2001090285A1 EP1350824A1 US5747477 EP1819667A1 US5973164 EP1302521A2 WO1998043917A1 US20080038345 EP0239782B1 WO2006053757A1 WO2008049701A1 WO2005068523A1 US7307044 US5911902 EP0336400A2 US4946759 WO2000040528A1 EP1797146A1 WO1999012059A1 EP1370219B1 EP1446220B1 US6723687 WO2009058120A1 WO2006036697A2 US4451553 EP1349854B1 EP0779162B1 EP1872173A1 US20100207078 EP1555296A1 US7855054 US6303821 WO2003058346A1 US5851644 US7186829 WO2007021880A1 EP0740210A1 US5137633 US20050282480 EP0685222B2 US20030125555 US20100174084 WO2001037778A2 WO2007145929A2 US20100027124 US20040058859 EP2009486A1 WO2004023469A1 WO2002014439A2 EP1179567B1 US20040127536 US20100176377 EP0499485B1 US20030064212 EP1207173A1 WO2007084596A2 US5414092 EP0289041B1 US20050054810 US20100219374 US4150169 EP2242789A1 EP0427672B1 WO2007031756A1 US7244758 US20060115440
KEGG Ligand C06354
Mcule MCULE-7496069620
MolPort MolPort-000-872-026
Nikkaji J2.481C
NMRShiftDB 10005796
PDBe BZQ
PubChem 3102
PubChem: Thomson Pharma 15147353
SureChEMBL SCHEMBL17745
ZINC ZINC00968233

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