646042

Source:http://linkedlifedata.com/resource/chembl/compound/646042

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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/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)
chemicalCompound:standardIn...	AAMZEJILAVQVEW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)C(Cl)Cn2ncc3c(Nc4cccc(F)c4)ncnc23
chemicalCompound:molecularF...	C19H14ClF2N5
chemicalCompound:moleculeId	646042
chemicalCompound:mwFreebase	385.798
chemicalCompound:alogp	4.877
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.63
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.918
chemicalCompound:acdLogD	4.918
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	385.798
chemicalCompound:acdMostBpk...	2.91
chemicalCompound:chemblId	CHEMBL1165511
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:746042
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:3338541, activity:3339666, activity:3339667, activity:3339670, activity:3339671, activity:3339679, activity:3339680, activity:3339681, activity:3339682