626769

Source:http://linkedlifedata.com/resource/chembl/compound/626769

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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/C20H20N2OS/c23-19-15-18(14-17-10-5-2-6-11-17)21-20(22-19)24-13-7-12-16-8-3-1-4-9-16/h1-6,8-11,15H,7,12-14H2,(H,21,22,23)
chemicalCompound:standardIn...	QIGZUOLFUYYTJD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1NC(=NC(=C1)Cc2ccccc2)SCCCc3ccccc3
chemicalCompound:molecularF...	C20H20N2OS
chemicalCompound:moleculeId	626769
chemicalCompound:mwFreebase	336.451
chemicalCompound:alogp	4.884
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	66.76
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.069
chemicalCompound:acdLogP	4.596
chemicalCompound:acdLogD	4.512
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.451
chemicalCompound:acdMostBpk...	0.622
chemicalCompound:chemblId	CHEMBL1096060
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:726769
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:3279399, activity:3280745, activity:3280772