118878

Source:http://linkedlifedata.com/resource/chembl/compound/118878

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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/C18H30O3S/c1-6-22-17(19)20-13-12-15(3)9-7-8-14(2)10-11-16-18(4,5)21-16/h8,12,16H,6-7,9-11,13H2,1-5H3/b14-8+,15-12+
chemicalCompound:standardIn...	WOSGESHBZCKGKX-DYHGJXMBSA-N
chemicalCompound:canonicalS...	CCSC(=O)OC\C=C(/C)\CC\C=C(/C)\CCC1OC1(C)C
chemicalCompound:molecularF...	C18 H30 O3 S
chemicalCompound:moleculeId	118878
chemicalCompound:mwFreebase	326.494
chemicalCompound:alogp	5.388
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	64.13
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.927
chemicalCompound:acdLogD	4.927
chemicalCompound:fullMwt	326.494
chemicalCompound:chemblId	CHEMBL74152
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:218878
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:433970, activity:1161325, activity:1161326, activity:1161327, activity:1161328, activity:1161329, activity:1161330, activity:1161331, activity:1161332, activity:1161333, activity:1161334, activity:1161335, activity:1161336, activity:1161337, activity:1161338, activity:1285868, activity:1285869, activity:1285870, activity:1285871