432022

Source:http://linkedlifedata.com/resource/chembl/compound/432022

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C21H17NO4/c1-12-16(15-5-3-4-6-18(15)22-12)11-17-19(25-13(2)23)9-7-14-8-10-20(24)26-21(14)17/h3-10,22H,11H2,1-2H3
chemicalCompound:standardIn...	GBXXWMMTQRBUGR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Oc1ccc2C=CC(=O)Oc2c1Cc3c(C)[nH]c4ccccc34
chemicalCompound:molecularF...	C21 H17 N O4
chemicalCompound:moleculeId	432022
chemicalCompound:mwFreebase	347.364
chemicalCompound:alogp	4.081
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	68.39
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.638
chemicalCompound:acdLogD	2.638
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	347.364
chemicalCompound:chemblId	CHEMBL261448
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:532022
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2135193, activity:2135256, activity:2135320, activity:2135355, activity:2135425, activity:2135489, activity:2135553, activity:2135617, activity:2135681