748790

Source:http://linkedlifedata.com/resource/chembl/compound/748790

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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/C22H26N2O2S/c1-16-4-6-17(7-5-16)15-24-10-12-27-21-9-8-18(13-20(21)24)22(25)23-14-19-3-2-11-26-19/h4-9,13,19H,2-3,10-12,14-15H2,1H3,(H,23,25)
chemicalCompound:standardIn...	LLLZCVZXHSUIMC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(CN2CCSc3ccc(cc23)C(=O)NCC4CCCO4)cc1
chemicalCompound:molecularF...	C22H26N2O2S
chemicalCompound:moleculeId	748790
chemicalCompound:mwFreebase	382.519
chemicalCompound:alogp	3.989
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	66.87
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.009
chemicalCompound:acdLogD	3.009
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	382.519
chemicalCompound:acdMostBpk...	3.66
chemicalCompound:chemblId	CHEMBL1324906
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:848790
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:4342207, activity:4476792, activity:5342981, activity:5466487, activity:5727936, activity:6549887, activity:6839212, activity:7193166, activity:7551704