420085

Source:http://linkedlifedata.com/resource/chembl/compound/420085

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/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
chemicalCompound:standardIn...	FAMPSKZZVDUYOS-HRGUGZIWSA-N
chemicalCompound:canonicalS...	C\C\1=C/CC(C)(C)\C=C\C\C(=C\CC1)\C
chemicalCompound:molecularF...	C15H24
chemicalCompound:moleculeId	420085
chemicalCompound:mwFreebase	204.351
chemicalCompound:alogp	5.035
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.592
chemicalCompound:acdLogD	6.592
chemicalCompound:fullMwt	204.351
chemicalCompound:chemblId	CHEMBL251280
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:520085
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:5768
chemicalCompound:activity	activity:2059760, activity:2059765, activity:2059775, activity:2059782, activity:2059789, activity:2310773, activity:2310777, activity:2310781, activity:2310785, activity:2310789, activity:2310793, activity:2437881