719

Source:http://linkedlifedata.com/resource/chembl/compound/719

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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/C23H28N2O3S/c1-6-28-20(26)15-7-9-16(10-8-15)24-21(27)25-17-11-12-19-18(13-17)22(2,3)14-23(4,5)29-19/h7-13H,6,14H2,1-5H3,(H2,24,25,27)
chemicalCompound:standardIn...	JDLHMPAKFYRMTR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1ccc(NC(=O)Nc2ccc3SC(C)(C)CC(C)(C)c3c2)cc1
chemicalCompound:molecularF...	C23 H28 N2 O3 S
chemicalCompound:moleculeId	719
chemicalCompound:mwFreebase	412.545
chemicalCompound:alogp	4.84
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	92.73
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.657
chemicalCompound:acdLogP	5.237
chemicalCompound:acdLogD	5.237
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	412.545
chemicalCompound:acdMostBpk...	0.248
chemicalCompound:chemblId	CHEMBL266659
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100719
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:613103, activity:1041358, activity:1041359, activity:1041360, activity:1041361, activity:1041362, activity:1041363