1006552

Source:http://linkedlifedata.com/resource/chembl/compound/1006552

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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/C22H29N3O3S2/c1-2-17-4-6-18(7-5-17)16-19-21(27)25(22(29)30-19)11-8-20(26)23-9-3-10-24-12-14-28-15-13-24/h4-7,16H,2-3,8-15H2,1H3,(H,23,26)/b19-16-
chemicalCompound:standardIn...	YGWYOVIFRLGRKC-MNDPQUGUSA-N
chemicalCompound:canonicalS...	CCc1ccc(\C=C\2/SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1
chemicalCompound:molecularF...	C22H29N3O3S2
chemicalCompound:moleculeId	1006552
chemicalCompound:mwFreebase	447.614
chemicalCompound:alogp	3.186
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	119.27
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.613
chemicalCompound:acdLogD	2.411
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	447.614
chemicalCompound:acdMostBpk...	7.247
chemicalCompound:chemblId	CHEMBL1582668
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1106552
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:3952538, activity:4341304, activity:4477856, activity:4705789, activity:4771474, activity:4847708, activity:5335092, activity:5392265, activity:5409610, activity:5439716, activity:5552198, activity:5603712, activity:5805457, activity:6590261, activity:6727215, activity:6887481, activity:7388748, activity:7443449, activity:7505934