509488

Source:http://linkedlifedata.com/resource/chembl/compound/509488

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/C19H18FN3O4/c1-24-15-8-13(9-16(25-2)19(15)26-3)22-17-10-21-11-18(23-17)27-14-6-4-5-12(20)7-14/h4-11H,1-3H3,(H,22,23)
chemicalCompound:standardIn...	KNZCFCWJMOMWMV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(Nc2cncc(Oc3cccc(F)c3)n2)cc(OC)c1OC
chemicalCompound:molecularF...	C19H18FN3O4
chemicalCompound:moleculeId	509488
chemicalCompound:mwFreebase	371.362
chemicalCompound:alogp	3.873
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	74.73
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.982
chemicalCompound:acdLogD	2.982
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	371.362
chemicalCompound:acdMostBpk...	1.038
chemicalCompound:chemblId	CHEMBL520623
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:609488
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:2340257