875609

Source:http://linkedlifedata.com/resource/chembl/compound/875609

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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/C18H12N2O2S/c19-8-14-16(11-5-6-23-9-11)17-13-7-12(21)3-1-10(13)2-4-15(17)22-18(14)20/h1-7,9,16,21H,20H2
chemicalCompound:standardIn...	MXACPJKCPLBEQM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=C(C#N)C(c2ccsc2)c3c(O1)ccc4ccc(O)cc34
chemicalCompound:molecularF...	C18H12N2O2S
chemicalCompound:moleculeId	875609
chemicalCompound:mwFreebase	320.365
chemicalCompound:alogp	3.19
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	107.51
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.328
chemicalCompound:acdLogP	3.797
chemicalCompound:acdLogD	3.793
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	320.365
chemicalCompound:acdMostBpk...	2.842
chemicalCompound:chemblId	CHEMBL1451725
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:975609
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:3672921, activity:3955204, activity:4007472, activity:4142255, activity:4305904, activity:4356374, activity:4562494, activity:4780143, activity:5021417, activity:5361662, activity:5567599, activity:5800696, activity:5853184, activity:5865783, activity:6483011, activity:6584758, activity:6724412, activity:6731835, activity:6901578, activity:7003709, activity:7237681, activity:7310685, activity:7490188, activity:9833510, activity:10594201