581969

Source:http://linkedlifedata.com/resource/chembl/compound/581969

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:581969_MF-152_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C16H15F3N4O2S/c17-16(18,19)11-4-2-1-3-10(11)14(25)22-5-7-23(8-6-22)15-21-9-12(26-15)13(20)24/h1-4,9H,5-8H2,(H2,20,24)
chemicalCompound:standardIn...	XCYAUDKMHBMJSP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)c1cnc(s1)N2CCN(CC2)C(=O)c3ccccc3C(F)(F)F
chemicalCompound:molecularF...	C16H15F3N4O2S
chemicalCompound:moleculeId	581969
chemicalCompound:mwFreebase	384.376
chemicalCompound:alogp	2.106
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	107.76
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.404
chemicalCompound:acdLogD	0.404
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	384.376
chemicalCompound:acdMostBpk...	4.657
chemicalCompound:chemblId	CHEMBL576820
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:681969
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:3007187, activity:3007192, activity:3007195, activity:3007196, activity:3007197, activity:3007198, activity:3007199, activity:3007200, activity:3007201, activity:3007202, activity:3007203, activity:3007204, activity:3007205, activity:3007206, activity:3007212, activity:3191782, activity:3191783, activity:3191859, activity:3191860, activity:3191861, activity:6381918, activity:7927919