917270

Source:http://linkedlifedata.com/resource/chembl/compound/917270

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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/C23H30N4O2S/c28-21(20-16-24-13-14-25-20)27(17-19-10-7-15-30-19)23(11-5-2-6-12-23)22(29)26-18-8-3-1-4-9-18/h7,10,13-16,18H,1-6,8-9,11-12,17H2,(H,26,29)
chemicalCompound:standardIn...	ORCCIKBWWBFJKS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(NC1CCCCC1)C2(CCCCC2)N(Cc3cccs3)C(=O)c4cnccn4
chemicalCompound:molecularF...	C23H30N4O2S
chemicalCompound:moleculeId	917270
chemicalCompound:mwFreebase	426.575
chemicalCompound:alogp	3.54
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	103.43
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.159
chemicalCompound:acdLogD	3.159
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.575
chemicalCompound:acdMostBpk...	0.163
chemicalCompound:chemblId	CHEMBL1493386
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1017270
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:4672074, activity:5331041, activity:5342342, activity:5409674, activity:5537577, activity:5855489, activity:5860115, activity:5881612, activity:5977659, activity:7124246, activity:7504331, activity:10585930