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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL151766
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H22O6

Additional synonyms for CHEMBL151766 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CC(O)c2cc(OC)c(OC)c(OC)c2)cc1O
Standard InChI InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16 ...
Download InChI

Structural Alerts

There are no structural alerts for CHEMBL151766

Alternate Forms of Compound in ChEMBL


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
334.4 334.1416 2.85 7 77.38 NEUTRAL

HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0

ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.92 - 1.09 1.09 2 24 0.81

Compound Cross References

Wikipedia Combretastatin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL151766

IBM Patent System 518ED6E03742DA87AFDC55BB23E6AD7D
IBM Patents WO2010073034A1 EP2231143A1 US20090275099 US20090156594 EP1895947A2 WO2006055665A2 US7811785 EP2158221A2 US20050209664 EP2105136A2 EP1631292A1 US20090111828 US20090087446 EP1039897B1 WO2005100344A1 WO2006123182A3 EP1656346A1 EP2235037A1 US20060134767 EP2125820A1 WO2006113718A2 US20090192134 EP1898912A1 EP1689233A2 EP1150980B1 US20100210686 US20060148801 US20040102701 WO2007035154A1 EP2263697A2 EP1877397A1 WO2009079418A2 US20050079132 WO2003037252A2 US20070270617 WO2006093991A1 EP2198863A1 EP1812033A2 WO2003050122A2 US20070260171 US20080261969 US20050272766 EP1885338A1 US20050267196 EP1259235B1 WO2001054771A2 EP1768978A1 EP1967516B1 EP1263763B1 WO2006021759A1 US20060199824 WO2010101627A2 EP1613160A2 WO2007103261A2 EP1490030B2 US20050038120 US20080249095 US7625563 EP1434778A1 EP1896461A2 US6858638 EP1984330A1 WO2009094391A1 EP2067776A1 WO2007083089A1 US20100234394 US20070244164 US20090137687 WO2005110462A2 WO2002007601A2 EP1601348A2 EP1937268A2 US20090036430 US20090118321 US7351739 US20070087998 US20060040325 US20080261982 US20070179159 US7662847 US20080138344 WO1999055343A1 EP1922337A2 US7576072 US20060135595 WO2003039462A2 EP1967189A1 WO2007084105A2 WO2010018600A1 US20070160656 EP1351691A1 US6586423 US20050215764 WO2010111631A1 US20100174053 US6313138 US20090324601 WO2005056018A1 US20100040639 WO2007149032A1
Nikkaji J444.208C
PubChem 335929
PubChem: Thomson Pharma 15446260

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