1010085

Source:http://linkedlifedata.com/resource/chembl/compound/1010085

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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/C17H13N3O2/c1-22-16-9-11(6-7-15(16)21)8-12(10-18)17-19-13-4-2-3-5-14(13)20-17/h2-9,21H,1H3,(H,19,20)/b12-8+
chemicalCompound:standardIn...	UWPWIJWFEGZWME-XYOKQWHBSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C(/C#N)\c2nc3ccccc3[nH]2)ccc1O
chemicalCompound:molecularF...	C17H13N3O2
chemicalCompound:moleculeId	1010085
chemicalCompound:mwFreebase	291.304
chemicalCompound:alogp	3.319
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	81.93
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.241
chemicalCompound:acdLogP	3.029
chemicalCompound:acdLogD	3.023
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	291.304
chemicalCompound:acdMostBpk...	4.165
chemicalCompound:chemblId	CHEMBL1586201
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1110085
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:3607182, activity:3619578, activity:3787390, activity:3841998, activity:3851055, activity:4262214, activity:4332287, activity:4355595, activity:4439849, activity:4570952, activity:4737104, activity:4924110, activity:5031675, activity:5332646, activity:5597191, activity:5718818, activity:5815868, activity:5910547, activity:6425007, activity:6475799, activity:6770278, activity:6838808, activity:6910208, activity:6972253, activity:7004618, activity:7100621, activity:7201514, activity:7278460, activity:7326523, activity:7383158, activity:7472324, activity:9791349, activity:10650955