694912

Source:http://linkedlifedata.com/resource/chembl/compound/694912

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:694912_Ergosterol D_OTHER
chemicalCompound:standardIn...	InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
chemicalCompound:standardIn...	DNVPQKQSNYMLRS-APGDWVJJSA-N
chemicalCompound:canonicalS...	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
chemicalCompound:molecularF...	C28H44O
chemicalCompound:moleculeId	694912
chemicalCompound:mwFreebase	396.648
chemicalCompound:alogp	6.933
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	20.23
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	9.281
chemicalCompound:acdLogD	9.281
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	396.648
chemicalCompound:chemblId	CHEMBL1232562
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:794912
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ERGOSTEROL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16933
chemicalCompound:activity	activity:5123627, activity:5123630, activity:5123700, activity:5124830, activity:5124847, activity:5124864, activity:5141499, activity:5141500, activity:6164902, activity:6165515, activity:6165528, activity:6165535, activity:6280361, activity:6280371, activity:7564992