189029

Source:http://linkedlifedata.com/resource/chembl/compound/189029

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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/C27H33FN4O5/c1-2-37-23-10-7-19(14-21(23)28)22(15-25(34)35)31-24(33)16-32-13-11-18(27(32)36)6-9-20-8-5-17-4-3-12-29-26(17)30-20/h5,7-8,10,14,18,22H,2-4,6,9,11-13,15-16H2,1H3,(H,29,30)(H,31,33)(H,34,35)/t18-,22-/m0/s1
chemicalCompound:standardIn...	FJUFYEBFJYPEFS-AVRDEDQJSA-N
chemicalCompound:canonicalS...	CCOc1ccc(cc1F)[C@H](CC(=O)O)NC(=O)CN2CC[C@H](CCc3ccc4CCCNc4n3)C2=O
chemicalCompound:molecularF...	C27 H33 F N4 O5
chemicalCompound:moleculeId	189029
chemicalCompound:mwFreebase	512.573
chemicalCompound:alogp	2.917
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	120.86
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.154
chemicalCompound:acdLogP	0.498
chemicalCompound:acdLogD	-2.327
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	512.573
chemicalCompound:acdMostBpk...	7.088
chemicalCompound:chemblId	CHEMBL114362
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:289029
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:932201, activity:932202, activity:932203