846711

Source:http://linkedlifedata.com/resource/chembl/compound/846711

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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/C22H24N2O5S/c1-29-22(28)17(11-12-30-2)23-20(26)16-13-15-18(9-6-10-19(15)25)24(21(16)27)14-7-4-3-5-8-14/h3-5,7-8,13,17H,6,9-12H2,1-2H3,(H,23,26)
chemicalCompound:standardIn...	AZUNEWKVJRSNEW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)C(CCSC)NC(=O)C1=CC2=C(CCCC2=O)N(C1=O)c3ccccc3
chemicalCompound:molecularF...	C22H24N2O5S
chemicalCompound:moleculeId	846711
chemicalCompound:mwFreebase	428.501
chemicalCompound:alogp	1.712
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	118.08
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.177
chemicalCompound:acdLogP	1.002
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	428.501
chemicalCompound:chemblId	CHEMBL1422827
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:946711
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:4094260, activity:5589989, activity:6480208, activity:7444020