865758

Source:http://linkedlifedata.com/resource/chembl/compound/865758

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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/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
chemicalCompound:standardIn...	AQXJFHKCXZSEEY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2ccccc2c1C3CC(=O)N4CN(CSC4=C3C#N)C5CCCCC5
chemicalCompound:molecularF...	C25H27N3O2S
chemicalCompound:moleculeId	865758
chemicalCompound:mwFreebase	433.566
chemicalCompound:alogp	4.923
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	81.87
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.129
chemicalCompound:acdLogD	4.128
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	433.566
chemicalCompound:acdMostBpk...	4.558
chemicalCompound:chemblId	CHEMBL1441874
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:965758
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:3675356, activity:3688869, activity:3759259, activity:3763897, activity:3912751, activity:3981604, activity:4049182, activity:4163550, activity:4228648, activity:4304854, activity:4318142, activity:4383325, activity:4429433, activity:4468486, activity:4503200, activity:4612164, activity:4659665, activity:4726900, activity:4784476, activity:4830762, activity:4881306, activity:5063162, activity:5385435, activity:5504543, activity:5693753, activity:5750588, activity:5822862, activity:5850974, activity:6429332, activity:6640170, activity:6688393, activity:6761869, activity:6809049, activity:6853563, activity:6938241, activity:6989230, activity:7070302, activity:7233755, activity:7395090, activity:7464855