1320842

Source:http://linkedlifedata.com/resource/chembl/compound/1320842

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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/C23H17N5O3/c29-23(27-24-13-5-9-17-7-3-4-10-22(17)28(30)31)21-15-20(25-26-21)19-12-11-16-6-1-2-8-18(16)14-19/h1-15H,(H,25,26)(H,27,29)/b9-5-,24-13+
chemicalCompound:standardIn...	BJLVCMDCMPWTLF-SGNGQNGNSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccccc1\C=C/C=N/NC(=O)c2cc([nH]n2)c3ccc4ccccc4c3
chemicalCompound:molecularF...	C23H17N5O3
chemicalCompound:moleculeId	1320842
chemicalCompound:mwFreebase	411.413
chemicalCompound:alogp	4.528
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	115.96
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.232
chemicalCompound:acdLogP	5.572
chemicalCompound:acdLogD	5.572
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	411.413
chemicalCompound:acdMostBpk...	0.064
chemicalCompound:chemblId	CHEMBL1999551
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1420842
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:3828159, activity:3926946, activity:3948032, activity:3986639, activity:4033089, activity:4073048, activity:4227189, activity:4798145, activity:4816032, activity:4819871, activity:4934791, activity:4951303, activity:5419894, activity:5489676, activity:5632712, activity:5670853, activity:5841505, activity:6915739, activity:6974989, activity:6985482, activity:7149951, activity:7299320, activity:7349938, activity:7542607, activity:9787015, activity:10067480, activity:10642319