814587

Source:http://linkedlifedata.com/resource/chembl/compound/814587

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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/C22H19N3O2S/c1-13-9-18-19(10-14(13)2)25-21(24-18)17-7-8-20(23-11-17)28-12-15-3-5-16(6-4-15)22(26)27/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)
chemicalCompound:standardIn...	LUOLJCHANBCQCP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc2nc([nH]c2cc1C)c3ccc(SCc4ccc(cc4)C(=O)O)nc3
chemicalCompound:molecularF...	C22H19N3O2S
chemicalCompound:moleculeId	814587
chemicalCompound:mwFreebase	389.47
chemicalCompound:alogp	5.386
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	104.17
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.145
chemicalCompound:acdLogP	3.105
chemicalCompound:acdLogD	0.215
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	389.47
chemicalCompound:acdMostBpk...	4.25
chemicalCompound:chemblId	CHEMBL1390703
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:914587
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:3745513, activity:3799134, activity:3841880, activity:3850986, activity:3933815, activity:4189348, activity:4261908, activity:4278231, activity:4375926, activity:4570846, activity:4599164, activity:4730210, activity:4737047, activity:4923992, activity:4945743, activity:4989281, activity:5027831, activity:5034253, activity:5363276, activity:5444425, activity:5513480, activity:5516487, activity:5573852, activity:5666473, activity:5724288, activity:5812977, activity:5905826, activity:5977012, activity:6838743, activity:6898905, activity:7004506, activity:7072809, activity:7089346, activity:7197870, activity:7314693, activity:7375814, activity:7448073, activity:7563499, activity:9787128