615

Source:http://linkedlifedata.com/resource/chembl/compound/615

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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/C23H28N2O2S2/c1-6-27-20(26)15-7-9-16(10-8-15)24-21(28)25-17-11-12-19-18(13-17)22(2,3)14-23(4,5)29-19/h7-13H,6,14H2,1-5H3,(H2,24,25,28)
chemicalCompound:standardIn...	UWRJJFOQSSAVSQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1ccc(N\C(=N\c2ccc3SC(C)(C)CC(C)(C)c3c2)\S)cc1
chemicalCompound:molecularF...	C23 H28 N2 O2 S2
chemicalCompound:moleculeId	615
chemicalCompound:mwFreebase	428.611
chemicalCompound:alogp	6.124
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	114.79
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-8.362
chemicalCompound:acdLogP	6.324
chemicalCompound:acdLogD	3.85
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	428.611
chemicalCompound:acdMostBpk...	10.344
chemicalCompound:chemblId	CHEMBL6609
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100615
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:618483, activity:1036647, activity:1036648, activity:1036649, activity:1036650, activity:1036651, activity:1036652