1306620

Source:http://linkedlifedata.com/resource/chembl/compound/1306620

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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/C12H19ClO3/c1-11-5-2-3-9(13)12(11,16)7-8(4-6-11)10(14)15/h8-9,16H,2-7H2,1H3,(H,14,15)/t8-,9+,11-,12?/m1/s1
chemicalCompound:standardIn...	GHQBJDKDNJSWFB-RVJXMIQCSA-N
chemicalCompound:canonicalS...	C[C@]12CCC[C@H](Cl)C1(O)C[C@@H](CC2)C(=O)O
chemicalCompound:molecularF...	C12H19ClO3
chemicalCompound:moleculeId	1306620
chemicalCompound:mwFreebase	246.73
chemicalCompound:alogp	2.328
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.53
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.544
chemicalCompound:acdLogP	1.987
chemicalCompound:acdLogD	-0.847
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	246.73
chemicalCompound:chemblId	CHEMBL1985329
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1406620
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:8258416, activity:8312279, activity:8327550, activity:8371558, activity:8408730, activity:8453045, activity:8517494, activity:8537459, activity:8607667, activity:8614070, activity:8699253, activity:8783755, activity:8785467, activity:8817924, activity:8916464, activity:8936993, activity:8942571, activity:8984128, activity:9024517, activity:9110176, activity:9116857, activity:9164663, activity:9197150, activity:9217722, activity:9230092, activity:9298673, activity:9306360, activity:9318811, activity:9379595, activity:9452010, activity:9463229, activity:9636685, activity:9697911, activity:9718834, activity:9724709, activity:9808537, activity:9871588, activity:9900589, activity:9934295, activity:9976354, activity:10083675, activity:10086999, activity:10093590, activity:10185246, activity:10192268, activity:10230125, activity:10265290, activity:10377027, activity:10439568, activity:10450745, activity:10488420, activity:10506781, activity:10550678, activity:10603639, activity:10611031, activity:10634494, activity:10717551, activity:10737722, activity:10805848, activity:10817444