11602

Source:http://linkedlifedata.com/resource/chembl/compound/11602

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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/C23H31NO2/c1-4-5-6-7-8-23(19-9-13-21(25)14-10-19)20-11-15-22(16-12-20)26-18-17-24(2)3/h8-16,25H,4-7,17-18H2,1-3H3/b23-8-
chemicalCompound:standardIn...	WWGDEVTWZFFPPI-NYAPKIOYSA-N
chemicalCompound:canonicalS...	CCCCC\C=C(\c1ccc(O)cc1)/c2ccc(OCCN(C)C)cc2
chemicalCompound:molecularF...	C23 H31 N O2
chemicalCompound:moleculeId	11602
chemicalCompound:mwFreebase	353.498
chemicalCompound:alogp	5.967
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	32.7
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.283
chemicalCompound:acdLogP	5.606
chemicalCompound:acdLogD	4.302
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	353.498
chemicalCompound:acdMostBpk...	8.709
chemicalCompound:chemblId	CHEMBL269227
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:111602
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:659015, activity:659016, activity:659017, activity:659018, activity:659019, activity:659020