254215

Source:http://linkedlifedata.com/resource/chembl/compound/254215

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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/C27H29N5O3/c28-26(29)19-8-10-22(11-9-19)31-27(35)20-6-7-21-16-32(13-12-18-4-2-1-3-5-18)17-23(15-25(33)34)30-24(21)14-20/h1-11,14,23,30H,12-13,15-17H2,(H3,28,29)(H,31,35)(H,33,34)
chemicalCompound:standardIn...	LTQLHHJBHMSIOH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)c1ccc(NC(=O)c2ccc3CN(CCc4ccccc4)CC(CC(=O)O)Nc3c2)cc1
chemicalCompound:molecularF...	C27 H29 N5 O3
chemicalCompound:moleculeId	254215
chemicalCompound:mwFreebase	471.551
chemicalCompound:alogp	0
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	131.54
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.196
chemicalCompound:acdLogP	2.311
chemicalCompound:acdLogD	-0.586
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	471.551
chemicalCompound:acdMostBpk...	11.767
chemicalCompound:chemblId	CHEMBL152648
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:354215
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:1085794, activity:1085795