189069

Source:http://linkedlifedata.com/resource/chembl/compound/189069

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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/C26H31FN4O5/c1-36-22-9-6-18(13-20(22)27)21(14-24(33)34)30-23(32)15-31-12-10-17(26(31)35)5-8-19-7-4-16-3-2-11-28-25(16)29-19/h4,6-7,9,13,17,21H,2-3,5,8,10-12,14-15H2,1H3,(H,28,29)(H,30,32)(H,33,34)/t17-,21-/m0/s1
chemicalCompound:standardIn...	KBRCQTXEFPMTDE-UWJYYQICSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1F)[C@H](CC(=O)O)NC(=O)CN2CC[C@H](CCc3ccc4CCCNc4n3)C2=O
chemicalCompound:molecularF...	C26 H31 F N4 O5
chemicalCompound:moleculeId	189069
chemicalCompound:mwFreebase	498.547
chemicalCompound:alogp	2.568
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	120.86
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.15
chemicalCompound:acdLogP	-0.011
chemicalCompound:acdLogD	-2.837
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	498.547
chemicalCompound:acdMostBpk...	7.088
chemicalCompound:chemblId	CHEMBL116055
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:289069
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:939295, activity:939296, activity:939297