592982

Source:http://linkedlifedata.com/resource/chembl/compound/592982

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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/C28H25FN4O2/c1-17-23-12-19(7-9-26(23)33-32-17)24-14-22(35-16-21(30)11-18-5-3-2-4-6-18)15-31-28(24)25-13-20(29)8-10-27(25)34/h2-10,12-15,21,34H,11,16,30H2,1H3,(H,32,33)/t21-/m0/s1
chemicalCompound:standardIn...	GRMBXYBGEBAHFY-NRFANRHFSA-N
chemicalCompound:canonicalS...	Cc1n[nH]c2ccc(cc12)c3cc(OC[C@@H](N)Cc4ccccc4)cnc3c5cc(F)ccc5O
chemicalCompound:molecularF...	C28H25FN4O2
chemicalCompound:moleculeId	592982
chemicalCompound:mwFreebase	468.522
chemicalCompound:alogp	5.122
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	97.05
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.16
chemicalCompound:acdLogP	2.218
chemicalCompound:acdLogD	1.917
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	468.522
chemicalCompound:acdMostBpk...	7.204
chemicalCompound:chemblId	CHEMBL594517
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:692982
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:3075712, activity:3075719