578164

Source:http://linkedlifedata.com/resource/chembl/compound/578164

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C9H10ClNO/c1-7-5-8(3-2-4-12)9(10)11-6-7/h2-3,5-6,12H,4H2,1H3/b3-2+
chemicalCompound:standardIn...	WBARJHONXLUJEK-NSCUHMNNSA-N
chemicalCompound:canonicalS...	Cc1cnc(Cl)c(\C=C\CO)c1
chemicalCompound:molecularF...	C9H10ClNO
chemicalCompound:moleculeId	578164
chemicalCompound:mwFreebase	183.635
chemicalCompound:alogp	1.902
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	33.12
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.717
chemicalCompound:acdLogP	1.881
chemicalCompound:acdLogD	1.881
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	183.635
chemicalCompound:acdMostBpk...	0.584
chemicalCompound:chemblId	CHEMBL570735
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:678164
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:3018341, activity:3018350, activity:3018356, activity:3018359, activity:3018363, activity:3018372, activity:3018380, activity:3018390, activity:3018400, activity:3018410, activity:3018418, activity:3018427