17980

Source:http://linkedlifedata.com/resource/chembl/compound/17980

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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/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,17-18,22H,4-11H2,2H3/t17?,18?,19?,20-/m0/s1
chemicalCompound:standardIn...	YOWOBPTVMDFSMZ-WSXZXBBNSA-N
chemicalCompound:canonicalS...	CC12CCC3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C#C
chemicalCompound:molecularF...	C20 H24 O2
chemicalCompound:moleculeId	17980
chemicalCompound:mwFreebase	296.403
chemicalCompound:alogp	4.26
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.035
chemicalCompound:acdLogP	3.063
chemicalCompound:acdLogD	3.063
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	296.403
chemicalCompound:chemblId	CHEMBL16523
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117980
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:458012, activity:458013, activity:458014, activity:458015, activity:458016, activity:458017, activity:458018, activity:586247, activity:586248, activity:586249, activity:586250, activity:586251, activity:842514, activity:842515