150019

Source:http://linkedlifedata.com/resource/chembl/compound/150019

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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/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
chemicalCompound:standardIn...	LKQDFQLSEHWIRK-UKBVDAKRSA-N
chemicalCompound:canonicalS...	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
chemicalCompound:molecularF...	C21 H34 O3
chemicalCompound:moleculeId	150019
chemicalCompound:mwFreebase	334.493
chemicalCompound:alogp	3.139
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.53
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.042
chemicalCompound:acdLogP	4.256
chemicalCompound:acdLogD	4.256
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	334.493
chemicalCompound:chemblId	CHEMBL92890
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:250019
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:366383, activity:780113, activity:966809, activity:1206927, activity:1261894, activity:7565896, activity:7565897