557579

Source:http://linkedlifedata.com/resource/chembl/compound/557579

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H18N4O3/c1-14-3-2-4-22(25-14)27-19(17-9-10-20-21(11-17)30-13-29-20)12-18(26-27)15-5-7-16(8-6-15)23(24)28/h2-12H,13H2,1H3,(H2,24,28)
chemicalCompound:standardIn...	IYNANLSAAYFZCM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(n1)n2nc(cc2c3ccc4OCOc4c3)c5ccc(cc5)C(=O)N
chemicalCompound:molecularF...	C23H18N4O3
chemicalCompound:moleculeId	557579
chemicalCompound:mwFreebase	398.414
chemicalCompound:alogp	4.254
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	92.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.651
chemicalCompound:acdLogD	2.651
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	398.414
chemicalCompound:acdMostBpk...	1.627
chemicalCompound:chemblId	CHEMBL560347
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:657579
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:2724654, activity:2724668, activity:2724682, activity:2724696, activity:2724721, activity:2724758, activity:2724776, activity:2724790, activity:2724804, activity:2724805