619582

Source:http://linkedlifedata.com/resource/chembl/compound/619582

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/C18H14N2O5/c1-23-10-3-4-11-12(7-10)20-16(15(17(11)21)18(19)22)9-2-5-13-14(6-9)25-8-24-13/h2-7H,8H2,1H3,(H2,19,22)(H,20,21)
chemicalCompound:standardIn...	RVCWZZWGXXYPBL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2C(=O)C(=C(Nc2c1)c3ccc4OCOc4c3)C(=O)N
chemicalCompound:molecularF...	C18H14N2O5
chemicalCompound:moleculeId	619582
chemicalCompound:mwFreebase	338.314
chemicalCompound:alogp	1.675
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	99.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.324
chemicalCompound:acdLogP	2.306
chemicalCompound:acdLogD	2.306
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	338.314
chemicalCompound:acdMostBpk...	0.125
chemicalCompound:chemblId	CHEMBL1089267
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:719582
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:3241691, activity:3241760, activity:3262331, activity:3262378, activity:3262425, activity:3262472, activity:3262519, activity:3262539, activity:3262569, activity:3262596