33898

Source:http://linkedlifedata.com/resource/chembl/compound/33898

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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/C19H21ClF3N3O3/c1-3-4-5-15-25-17(20)14(10-16(27)29-2)26(15)11-12-6-8-13(9-7-12)24-18(28)19(21,22)23/h6-9H,3-5,10-11H2,1-2H3,(H,24,28)
chemicalCompound:standardIn...	IZQWQHBLCHGZJT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(NC(=O)C(F)(F)F)cc2
chemicalCompound:molecularF...	C19 H21 Cl F3 N3 O3
chemicalCompound:moleculeId	33898
chemicalCompound:mwFreebase	431.837
chemicalCompound:alogp	4.61
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	73.22
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.86
chemicalCompound:acdLogP	2.774
chemicalCompound:acdLogD	2.772
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.837
chemicalCompound:acdMostBpk...	4.021
chemicalCompound:chemblId	CHEMBL25555
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133898
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:649260, activity:649261