963741

Source:http://linkedlifedata.com/resource/chembl/compound/963741

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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/C22H28N6OS/c1-22(2)11-14-15(12-29-22)19(27-7-3-4-8-27)26-21-16(14)17-18(30-21)20(25-13-24-17)28-9-5-23-6-10-28/h13,23H,3-12H2,1-2H3
chemicalCompound:standardIn...	NJQMPMXJDCTVOO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)Cc2c(CO1)c(nc3sc4c(ncnc4c23)N5CCNCC5)N6CCCC6
chemicalCompound:molecularF...	C22H28N6OS
chemicalCompound:moleculeId	963741
chemicalCompound:mwFreebase	424.562
chemicalCompound:alogp	2.716
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	94.65
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.656
chemicalCompound:acdLogD	1.822
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.562
chemicalCompound:acdMostBpk...	8.458
chemicalCompound:chemblId	CHEMBL1539857
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1063741
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:3707145, activity:4148275, activity:4213578, activity:4886687, activity:5582399, activity:5881446, activity:6535264, activity:7133181