862800

Source:http://linkedlifedata.com/resource/chembl/compound/862800

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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/C17H13N3OS/c18-10-15(11-20-8-7-19-17(20)22)16(21)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,11H,7-8H2,(H,19,22)/b15-11+
chemicalCompound:standardIn...	DOIZNVFBSUQVLL-RVDMUPIBSA-N
chemicalCompound:canonicalS...	O=C(\C(=C\N1CCNC1=S)\C#N)c2ccc3ccccc3c2
chemicalCompound:molecularF...	C17H13N3OS
chemicalCompound:moleculeId	862800
chemicalCompound:mwFreebase	307.37
chemicalCompound:alogp	3.164
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	88.22
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.249
chemicalCompound:acdLogP	2.744
chemicalCompound:acdLogD	2.744
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	307.37
chemicalCompound:acdMostBpk...	1.238
chemicalCompound:chemblId	CHEMBL1438916
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:962800
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:3986460, activity:4122831, activity:5053529, activity:6002973, activity:6004724, activity:6015155, activity:6037648, activity:6070844, activity:8285385, activity:8288121, activity:8335279, activity:8350439, activity:8369389, activity:8385155, activity:8471148, activity:8504404, activity:8540434, activity:8555896, activity:8692738, activity:8712812, activity:8736939, activity:8739620, activity:8807316, activity:8841108, activity:8872113, activity:8892761, activity:9006650, activity:9021336, activity:9036049, activity:9126049, activity:9132730, activity:9224413, activity:9256877, activity:9267619, activity:9325558, activity:9399335, activity:9401965, activity:9478386, activity:9485303, activity:9542521, activity:9658105, activity:9736742, activity:9751684, activity:9830112, activity:9856977, activity:9898398, activity:9928494, activity:9961090, activity:9980948, activity:9996359, activity:10115689, activity:10137208, activity:10175110, activity:10219256, activity:10252540, activity:10291820, activity:10298474, activity:10337977, activity:10408607, activity:10423650, activity:10533482, activity:10641457, activity:10652025, activity:10698394, activity:10739908, activity:10762740