406336

Source:http://linkedlifedata.com/resource/chembl/compound/406336

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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/C23H34O3/c1-4-5-6-15-11-19-17-8-7-14-12-20(24)21(26-3)13-18(14)16(17)9-10-23(19,2)22(15)25/h12-13,15-17,19,22,24-25H,4-11H2,1-3H3/t15-,16+,17-,19+,22+,23+/m1/s1
chemicalCompound:standardIn...	WJBKGRUNPGQDCH-GAKJJMACSA-N
chemicalCompound:canonicalS...	CCCC[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]2(C)[C@H]1O
chemicalCompound:molecularF...	C23 H34 O3
chemicalCompound:moleculeId	406336
chemicalCompound:mwFreebase	358.514
chemicalCompound:alogp	5.509
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	49.69
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.295
chemicalCompound:acdLogP	5.906
chemicalCompound:acdLogD	5.906
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	358.514
chemicalCompound:chemblId	CHEMBL241585
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:506336
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:1992982, activity:1992989, activity:1993001, activity:1993014