1022946

Source:http://linkedlifedata.com/resource/chembl/compound/1022946

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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/C19H23ClN2O7S/c1-2-28-19(25)12-3-6-22(7-4-12)18(24)5-8-30(26,27)16-10-15-14(9-13(16)20)21-17(23)11-29-15/h9-10,12H,2-8,11H2,1H3,(H,21,23)
chemicalCompound:standardIn...	BWFREXVXUKMALW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1CCN(CC1)C(=O)CCS(=O)(=O)c2cc3OCC(=O)Nc3cc2Cl
chemicalCompound:molecularF...	C19H23ClN2O7S
chemicalCompound:moleculeId	1022946
chemicalCompound:mwFreebase	458.913
chemicalCompound:alogp	1
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	127.46
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.661
chemicalCompound:acdLogP	2.573
chemicalCompound:acdLogD	2.573
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	458.913
chemicalCompound:chemblId	CHEMBL1599062
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1122946
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:3611263, activity:4474677, activity:4822209, activity:5436041, activity:6752473