87114

Source:http://linkedlifedata.com/resource/chembl/compound/87114

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/C29H34N2O2/c32-26-12-16-29-25(21-26)11-15-28(24-7-3-1-4-8-24)31(29)22-23-9-13-27(14-10-23)33-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,28,32H,2,5-6,11,15,17-20,22H2
chemicalCompound:standardIn...	OQJYJENHHOZHPV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2N(Cc3ccc(OCCN4CCCCC4)cc3)C(CCc2c1)c5ccccc5
chemicalCompound:molecularF...	C29 H34 N2 O2
chemicalCompound:moleculeId	87114
chemicalCompound:mwFreebase	442.592
chemicalCompound:alogp	6.516
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	35.94
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.419
chemicalCompound:acdLogP	4.903
chemicalCompound:acdLogD	3.624
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	442.592
chemicalCompound:acdMostBpk...	8.648
chemicalCompound:chemblId	CHEMBL60538
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:187114
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:147372, activity:147373, activity:147374