257725

Source:http://linkedlifedata.com/resource/chembl/compound/257725

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/C21H19NO2/c22-14-20(15-4-2-1-3-5-15)21(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h1-13,23-24H,14,22H2
chemicalCompound:standardIn...	SRNABOOMFAKPON-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCC(=C(c1ccc(O)cc1)c2ccc(O)cc2)c3ccccc3
chemicalCompound:molecularF...	C21 H19 N O2
chemicalCompound:moleculeId	257725
chemicalCompound:mwFreebase	317.381
chemicalCompound:alogp	3.876
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	66.48
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.995
chemicalCompound:acdLogP	2.6
chemicalCompound:acdLogD	0.721
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	317.381
chemicalCompound:acdMostBpk...	9.397
chemicalCompound:chemblId	CHEMBL157972
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:357725
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:868870, activity:868871, activity:868872, activity:868873, activity:868874, activity:868875, activity:868876, activity:868877, activity:868878, activity:868879, activity:868880, activity:868881, activity:868882