667421

Source:http://linkedlifedata.com/resource/chembl/compound/667421

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C19H22ClNS/c1-19(2,3)11-6-5-7-12-21(4)14-16-10-8-9-15-13-17(20)22-18(15)16/h5,7-10,13H,12,14H2,1-4H3/b7-5+
chemicalCompound:standardIn...	HXDILCMAPJGWSJ-FNORWQNLSA-N
chemicalCompound:canonicalS...	CN(C\C=C\C#CC(C)(C)C)Cc1cccc2cc(Cl)sc12
chemicalCompound:molecularF...	C19H22ClNS
chemicalCompound:moleculeId	667421
chemicalCompound:mwFreebase	331.903
chemicalCompound:alogp	5.748
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	31.47
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.415
chemicalCompound:acdLogD	6.334
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	331.903
chemicalCompound:acdMostBpk...	6.714
chemicalCompound:chemblId	CHEMBL1193471
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:767421
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No