783756

Source:http://linkedlifedata.com/resource/chembl/compound/783756

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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/C17H17NO4/c1-3-6-22-17(20)16-10(2)15-12(18-16)8-11(9-13(15)19)14-5-4-7-21-14/h3-5,7,11,18H,1,6,8-9H2,2H3
chemicalCompound:standardIn...	ISSJKOPBGXJRBJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1c([nH]c2CC(CC(=O)c12)c3occc3)C(=O)OCC=C
chemicalCompound:molecularF...	C17H17NO4
chemicalCompound:moleculeId	783756
chemicalCompound:mwFreebase	299.321
chemicalCompound:alogp	3.033
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	72.3
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.587
chemicalCompound:acdLogD	1.587
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	299.321
chemicalCompound:chemblId	CHEMBL1359872
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:883756
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:3623329, activity:3656940, activity:3698917, activity:3700289, activity:3876257, activity:3918972, activity:3937712, activity:3950412, activity:4029702, activity:4059410, activity:4119762, activity:4292472, activity:4338755, activity:4360425, activity:4522137, activity:4603422, activity:4617378, activity:4648084, activity:4693855, activity:4710369, activity:4763426, activity:4769747, activity:4824088, activity:4839550, activity:4863799, activity:4889042, activity:4905852, activity:4924582, activity:4957850, activity:5000754, activity:5385948, activity:5448423, activity:5540198, activity:5596424, activity:5657585, activity:5674175, activity:5721874, activity:5809476, activity:5862057, activity:5873803, activity:5879657, activity:6427848, activity:6586884, activity:6619787, activity:6724741, activity:6772165, activity:6844038, activity:6981418, activity:7032004, activity:7052022, activity:7192755, activity:7222309, activity:7262103, activity:9812739