1024837

Source:http://linkedlifedata.com/resource/chembl/compound/1024837

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/C16H13NO4/c17-14(18)9-20-16(19)15-10-5-1-3-7-12(10)21-13-8-4-2-6-11(13)15/h1-8,15H,9H2,(H2,17,18)
chemicalCompound:standardIn...	XWVVZFJDPIQMSR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)COC(=O)C1c2ccccc2Oc3ccccc13
chemicalCompound:molecularF...	C16H13NO4
chemicalCompound:moleculeId	1024837
chemicalCompound:mwFreebase	283.279
chemicalCompound:alogp	1.798
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	78.62
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.468
chemicalCompound:acdLogD	2.468
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	283.279
chemicalCompound:chemblId	CHEMBL1600953
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1124837
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:4819442, activity:5847217, activity:6537278, activity:6640241, activity:6938339