971330

Source:http://linkedlifedata.com/resource/chembl/compound/971330

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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/C12H10N2O3S/c1-14-11(16)9(10(15)13-12(14)18)6-2-4-8-5-3-7-17-8/h2-7H,1H3,(H,13,15,18)/b4-2+,9-6+
chemicalCompound:standardIn...	HXHULZQVWUJWIV-PPVYKKJJSA-N
chemicalCompound:canonicalS...	CN1C(=S)NC(=O)\C(=C/C=C/c2occc2)\C1=O
chemicalCompound:molecularF...	C12H10N2O3S
chemicalCompound:moleculeId	971330
chemicalCompound:mwFreebase	262.284
chemicalCompound:alogp	1.832
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	94.64
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.725
chemicalCompound:acdLogP	1.039
chemicalCompound:acdLogD	-0.477
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	262.284
chemicalCompound:chemblId	CHEMBL1547446
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1071330
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:3618379, activity:3698671, activity:3745567, activity:3787365, activity:3799135, activity:3962722, activity:4262053, activity:4300357, activity:4315491, activity:4357302, activity:4375959, activity:4517283, activity:4599187, activity:4880183, activity:5022348, activity:5365355, activity:5516581, activity:5538232, activity:5566771, activity:5663475, activity:5695848, activity:5726282, activity:5814045, activity:5959808, activity:5963534, activity:5977109, activity:6447580, activity:6470304, activity:6495484, activity:6630181, activity:6809689, activity:6838772, activity:6906321, activity:7004563, activity:7052065, activity:7197971, activity:7274826, activity:7379468, activity:10440169