511550

Source:http://linkedlifedata.com/resource/chembl/compound/511550

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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/C32H28N6O2/c1-2-38-20-29(27-15-17-33-31-28(27)16-18-34-31)30(37-38)23-9-6-10-25(19-23)36-32(39)35-24-11-13-26(14-12-24)40-21-22-7-4-3-5-8-22/h3-20H,2,21H2,1H3,(H,33,34)(H2,35,36,39)
chemicalCompound:standardIn...	QNTVJRSWYJREKJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCn1cc(c2ccnc3[nH]ccc23)c(n1)c4cccc(NC(=O)Nc5ccc(OCc6ccccc6)cc5)c4
chemicalCompound:molecularF...	C32H28N6O2
chemicalCompound:moleculeId	511550
chemicalCompound:mwFreebase	528.604
chemicalCompound:alogp	5.896
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	96.86
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.385
chemicalCompound:acdLogP	5.361
chemicalCompound:acdLogD	5.36
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	528.604
chemicalCompound:acdMostBpk...	4.028
chemicalCompound:chemblId	CHEMBL505187
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:611550
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:2240585, activity:7504787, activity:8102805, activity:8102806, activity:8102807, activity:8102808, activity:8102809, activity:8102810, activity:8102811, activity:8102812, activity:8102813, activity:8102814, activity:8102815, activity:8102816, activity:8102817, activity:8102818, activity:8102819, activity:8102820, activity:8102821, activity:8102822, activity:8102823, activity:8102824, activity:8102825, activity:8102826, activity:8102827, activity:8102828, activity:8102829, activity:8102830, activity:8102831, activity:8102832, activity:8102833, activity:8102834, activity:8102835, activity:8102836, activity:8102837, activity:8102838, activity:8102839, activity:8102840, activity:8102841, activity:8102842, activity:8102843, activity:8102844, activity:8102845, activity:8102846, activity:8102847, activity:8102848, activity:8102849, activity:8102850, activity:8102851, activity:8102852, activity:8102853, activity:8102854, activity:8102855, activity:8102856, activity:8102857, activity:8102858, activity:8102859, activity:8102860, activity:8102861, activity:8102862, activity:8102863, activity:8102864, activity:8102865, activity:8102866, activity:8102867, activity:8102868