204410

Source:http://linkedlifedata.com/resource/chembl/compound/204410

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/C14H10O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-7,15H,8H2
chemicalCompound:standardIn...	AXHRXVXCOMMNLG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1cccc2Cc3ccccc3C(=O)c12
chemicalCompound:molecularF...	C14 H10 O2
chemicalCompound:moleculeId	204410
chemicalCompound:mwFreebase	210.228
chemicalCompound:alogp	3.136
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.006
chemicalCompound:acdLogP	4.798
chemicalCompound:acdLogD	4.702
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	210.228
chemicalCompound:chemblId	CHEMBL123161
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:304410
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:91884, activity:91885, activity:91886, activity:91887, activity:91888, activity:91889