734088

Source:http://linkedlifedata.com/resource/chembl/compound/734088

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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/C16H19N3O3S/c1-21-13-9-12(19-5-3-4-6-19)14(22-2)8-10(13)7-11-15(20)18-16(23)17-11/h7-9H,3-6H2,1-2H3,(H2,17,18,20,23)/b11-7+
chemicalCompound:standardIn...	VSPILHCSSFVETN-YRNVUSSQSA-N
chemicalCompound:canonicalS...	COc1cc(N2CCCC2)c(OC)cc1\C=C/3\NC(=S)NC3=O
chemicalCompound:molecularF...	C16H19N3O3S
chemicalCompound:moleculeId	734088
chemicalCompound:mwFreebase	333.405
chemicalCompound:alogp	2.42
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	94.92
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.473
chemicalCompound:acdLogP	2.141
chemicalCompound:acdLogD	2.12
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	333.405
chemicalCompound:acdMostBpk...	4.53
chemicalCompound:chemblId	CHEMBL1310204
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:834088
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:3629830, activity:3786577, activity:3961872, activity:3991405, activity:4061492, activity:4260614, activity:4369620, activity:4582748, activity:5502997, activity:5600498, activity:5659829, activity:5719278, activity:5809931, activity:5853235, activity:5865834, activity:5963735, activity:6444854, activity:6451553, activity:6532156, activity:6755320, activity:6909878, activity:6993279, activity:7065324, activity:7092801, activity:7237987, activity:7300204, activity:9770109, activity:10564740