896358

Source:http://linkedlifedata.com/resource/chembl/compound/896358

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/C27H23N3O4/c31-25-9-5-4-8-24(25)26(32)28-20-10-12-21(13-11-20)29-27(33)30-22-14-16-23(17-15-22)34-18-19-6-2-1-3-7-19/h1-17,31H,18H2,(H,28,32)(H2,29,30,33)
chemicalCompound:standardIn...	OZDAWFSIHKFUJR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccccc1C(=O)Nc2ccc(NC(=O)Nc3ccc(OCc4ccccc4)cc3)cc2
chemicalCompound:molecularF...	C27H23N3O4
chemicalCompound:moleculeId	896358
chemicalCompound:mwFreebase	453.489
chemicalCompound:alogp	4.632
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	99.69
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.329
chemicalCompound:acdLogP	4.457
chemicalCompound:acdLogD	4.394
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	453.489
chemicalCompound:acdMostBpk...	0.992
chemicalCompound:chemblId	CHEMBL1472474
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:996358
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:4419645