772390

Source:http://linkedlifedata.com/resource/chembl/compound/772390

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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/C14H6Cl2F3N3O2S/c15-8-2-1-6(3-9(8)16)10-5-25-13(21-10)22-11(14(17,18)19)7(4-20-22)12(23)24/h1-5H,(H,23,24)
chemicalCompound:standardIn...	QLQOGFPNPZXVTP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1cnn(c2nc(cs2)c3ccc(Cl)c(Cl)c3)c1C(F)(F)F
chemicalCompound:molecularF...	C14H6Cl2F3N3O2S
chemicalCompound:moleculeId	772390
chemicalCompound:mwFreebase	408.183
chemicalCompound:alogp	5.192
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	96.25
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.47
chemicalCompound:acdLogP	4.569
chemicalCompound:acdLogD	1.426
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	408.183
chemicalCompound:chemblId	CHEMBL1348506
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:872390
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:3841404, activity:4110668, activity:4448910, activity:4579033, activity:4907750, activity:5629654, activity:5678294, activity:5752753, activity:5928694, activity:6428365, activity:6514526, activity:6900567, activity:6974142, activity:7057601, activity:7397009, activity:7542524, activity:8352617, activity:8995674, activity:9693794, activity:10054684, activity:10062258, activity:10660157