550312

Source:http://linkedlifedata.com/resource/chembl/compound/550312

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:154957
chemicalCompound:standardIn...	InChI=1S/C19H22ClNS.ClH/c1-19(2,3)11-6-5-7-12-21(4)13-15-9-8-10-16-17(20)14-22-18(15)16;/h5,7-10,14H,12-13H2,1-4H3;1H/b7-5+;
chemicalCompound:standardIn...	INNKFGGCJAUIMK-GZOLSCHFSA-N
chemicalCompound:canonicalS...	Cl.CN(C\C=C\C#CC(C)(C)C)Cc1cccc2c(Cl)csc12
chemicalCompound:molecularF...	C19H23Cl2NS
chemicalCompound:moleculeId	550312
chemicalCompound:mwFreebase	331.903
chemicalCompound:alogp	5.953
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	31.47
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.555
chemicalCompound:acdLogD	6.482
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	368.364
chemicalCompound:acdMostBpk...	6.662
chemicalCompound:chemblId	CHEMBL537250
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:650312
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:908031, activity:908032, activity:908033, activity:908034, activity:908035, activity:908036, activity:908037, activity:908038, activity:908039, activity:908040, activity:908041, activity:908042, activity:908043, activity:908044, activity:908045, activity:908046