289316

Source:http://linkedlifedata.com/resource/chembl/compound/289316

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/C21H33NO/c1-10-23-18-15(19(2,3)4)13-16-14(17(18)20(5,6)7)11-12-21(8,9)22-16/h11-13,22H,10H2,1-9H3
chemicalCompound:standardIn...	JRXZZQLMIIDJEC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1c(cc2NC(C)(C)C=Cc2c1C(C)(C)C)C(C)(C)C
chemicalCompound:molecularF...	C21 H33 N O
chemicalCompound:moleculeId	289316
chemicalCompound:mwFreebase	315.493
chemicalCompound:alogp	5.575
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	21.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.678
chemicalCompound:acdLogD	6.674
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	315.493
chemicalCompound:acdMostBpk...	5.426
chemicalCompound:chemblId	CHEMBL173645
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:389316
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:375469, activity:375470, activity:375471, activity:375472, activity:375473, activity:375474