711904

Source:http://linkedlifedata.com/resource/chembl/compound/711904

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/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-,14+/m1/s1
chemicalCompound:standardIn...	SHAHPWSYJFYMRX-ADSMYIAOSA-N
chemicalCompound:canonicalS...	CC(C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
chemicalCompound:molecularF...	C15H20O3
chemicalCompound:moleculeId	711904
chemicalCompound:mwFreebase	248.318
chemicalCompound:alogp	2.978
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.53
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.421
chemicalCompound:acdLogP	2.233
chemicalCompound:acdLogD	-0.683
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	248.318
chemicalCompound:chemblId	CHEMBL1275942
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:811904
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:3555247, activity:3555265, activity:3555267, activity:6310174, activity:6310196, activity:6310234