1051485

Source:http://linkedlifedata.com/resource/chembl/compound/1051485

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:7494
chemicalCompound:standardIn...	InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1/i12T/t12?,15?,17-,18+,19-,20+,21+
chemicalCompound:standardIn...	HIFJCPQKFCZDDL-URMZZKEUSA-N
chemicalCompound:canonicalS...	[3H]C1[C@H]2C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@H]2C/C/1=C/CCCC(=O)O
chemicalCompound:molecularF...	C22H31O4T
chemicalCompound:moleculeId	1051485
chemicalCompound:mwFreebase	360.487
chemicalCompound:alogp	4.144
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	77.76
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.768
chemicalCompound:acdLogP	3.28
chemicalCompound:acdLogD	0.677
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	362.479
chemicalCompound:chemblId	CHEMBL1628635
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1151485
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:5084576