302948

Source:http://linkedlifedata.com/resource/chembl/compound/302948

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:302948_A-315456_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H23N3O2S/c1-2-24(22,23)21-16-10-6-9-15(11-16)18(17-12-19-13-20-17)14-7-4-3-5-8-14/h6,9-13,21H,2-5,7-8H2,1H3,(H,19,20)
chemicalCompound:standardIn...	MTZVJHSZYMWIAG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCS(=O)(=O)Nc1cccc(c1)C(=C2CCCCC2)c3c[nH]cn3
chemicalCompound:molecularF...	C18 H23 N3 O2 S
chemicalCompound:moleculeId	302948
chemicalCompound:mwFreebase	345.459
chemicalCompound:alogp	3.281
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	83.22
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.812
chemicalCompound:acdLogP	3.718
chemicalCompound:acdLogD	3.622
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	345.459
chemicalCompound:acdMostBpk...	6.408
chemicalCompound:chemblId	CHEMBL362863
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:402948
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:1431011, activity:3473090, activity:3485833, activity:3485834, activity:3485835, activity:3485836, activity:3485837, activity:3485838, activity:3485839, activity:3636021, activity:3671872, activity:3695045, activity:3897083, activity:3987135, activity:4015224, activity:4084628, activity:4128361, activity:4245093, activity:4278364, activity:4358715, activity:4535690, activity:4537554, activity:4589020, activity:4653709, activity:4741962, activity:4803464, activity:4913817, activity:4966247, activity:4974047, activity:5001900, activity:5069240, activity:5070470, activity:5340468, activity:5570033, activity:5696934, activity:5733454, activity:5855632, activity:5867291, activity:5875726, activity:5991721, activity:6015191, activity:6053699, activity:6056828, activity:6068651, activity:6569195, activity:6779429, activity:7005064, activity:7178695, activity:7440201, activity:7483717, activity:7507427, activity:7531296