862800

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

Download in:

Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:862800	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:862800	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+	lld:chembl
chemicalCompound:862800	chemicalCompound:standardIn...	DOIZNVFBSUQVLL-RVDMUPIBSA-N	lld:chembl
chemicalCompound:862800	chemicalCompound:canonicalS...	O=C(\C(=C\N1CCNC1=S)\C#N)c2ccc3ccccc3c2	lld:chembl
chemicalCompound:862800	chemicalCompound:molecularF...	C17H13N3OS	lld:chembl
chemicalCompound:862800	chemicalCompound:moleculeId	862800	lld:chembl
chemicalCompound:862800	chemicalCompound:mwFreebase	307.37	lld:chembl
chemicalCompound:862800	chemicalCompound:alogp	3.164	lld:chembl
chemicalCompound:862800	chemicalCompound:hba	3	lld:chembl
chemicalCompound:862800	chemicalCompound:hbd	1	lld:chembl
chemicalCompound:862800	chemicalCompound:psa	88.22	lld:chembl
chemicalCompound:862800	chemicalCompound:rtb	3	lld:chembl
chemicalCompound:862800	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:862800	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:862800	chemicalCompound:medChemFri...	N	lld:chembl
chemicalCompound:862800	chemicalCompound:acdMostApk...	13.249	lld:chembl
chemicalCompound:862800	chemicalCompound:acdLogP	2.744	lld:chembl
chemicalCompound:862800	chemicalCompound:acdLogD	2.744	lld:chembl
chemicalCompound:862800	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:862800	chemicalCompound:fullMwt	307.37	lld:chembl
chemicalCompound:862800	chemicalCompound:acdMostBpk...	1.238	lld:chembl
chemicalCompound:862800	chemicalCompound:chemblId	CHEMBL1438916	lld:chembl
chemicalCompound:862800	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:862800	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:862800	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:862800	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:862800	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:862800	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:862800	chemicalCompound:oral	No	lld:chembl
chemicalCompound:862800	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:862800	chemicalCompound:topical	No	lld:chembl
chemicalCompound:862800	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:862800	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:862800	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:3986460	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:4122831	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:5053529	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:6002973	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:6004724	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:6015155	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:6037648	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:6070844	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8285385	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8288121	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8335279	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8350439	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8369389	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8385155	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8471148	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8504404	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8540434	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8555896	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8692738	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8712812	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8736939	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8739620	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8807316	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8841108	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8872113	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:8892761	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9006650	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9021336	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9036049	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9126049	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9132730	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9224413	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9256877	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9267619	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9325558	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9399335	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9401965	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9478386	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9485303	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9542521	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9658105	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9736742	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9751684	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9830112	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9856977	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9898398	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9928494	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9961090	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9980948	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:9996359	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10115689	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10137208	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10175110	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10219256	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10252540	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10291820	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10298474	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10337977	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10408607	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10423650	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10533482	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10641457	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10652025	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10698394	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10739908	lld:chembl
chemicalCompound:862800	chemicalCompound:activity	activity:10762740	lld:chembl