1310542

Source:http://linkedlifedata.com/resource/chembl/compound/1310542

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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/C17H23NO3/c19-16(11-8-13-4-2-1-3-5-13)18-12-14-6-9-15(10-7-14)17(20)21/h6-7,9-10,13H,1-5,8,11-12H2,(H,18,19)(H,20,21)
chemicalCompound:standardIn...	HSJYVIPEBQLROH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccc(CNC(=O)CCC2CCCCC2)cc1
chemicalCompound:molecularF...	C17H23NO3
chemicalCompound:moleculeId	1310542
chemicalCompound:mwFreebase	289.369
chemicalCompound:alogp	3.415
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	66.4
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.221
chemicalCompound:acdLogP	3.236
chemicalCompound:acdLogD	0.347
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	289.369
chemicalCompound:chemblId	CHEMBL1989251
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1410542
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:8234777, activity:8245394, activity:8299078, activity:8314245, activity:8400187, activity:8420366, activity:8477824, activity:8519723, activity:8576071, activity:8596447, activity:8677520, activity:8723472, activity:8768067, activity:8770663, activity:8804689, activity:8852452, activity:8903293, activity:8923879, activity:8966845, activity:9066260, activity:9071704, activity:9094915, activity:9097094, activity:9183953, activity:9232266, activity:9287556, activity:9356080, activity:9359469, activity:9366454, activity:9439153, activity:9450239, activity:9517761, activity:9687421, activity:9701405, activity:9711851, activity:9791802, activity:9862810, activity:9891791, activity:9921320, activity:9963373, activity:10024682, activity:10040113, activity:10080662, activity:10152828, activity:10172174, activity:10212903, activity:10245577, activity:10272297, activity:10322015, activity:10368374, activity:10438228, activity:10493865, activity:10591121, activity:10617360, activity:10671400, activity:10700094, activity:10720239, activity:10793072