727525

Source:http://linkedlifedata.com/resource/chembl/compound/727525

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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/C20H18N2O3/c1-25-11-5-10-21-18-17-12-6-2-3-7-13(12)19(23)14-8-4-9-15(16(14)17)22-20(18)24/h2-4,6-9,21H,5,10-11H2,1H3,(H,22,24)
chemicalCompound:standardIn...	SGAPBLVHCYMHCF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCCNc1c(O)nc2cccc3C(=O)c4ccccc4c1c23
chemicalCompound:molecularF...	C20H18N2O3
chemicalCompound:moleculeId	727525
chemicalCompound:mwFreebase	334.368
chemicalCompound:alogp	3.146
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	71.45
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.472
chemicalCompound:acdLogD	3.46
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	334.368
chemicalCompound:acdMostBpk...	8.622
chemicalCompound:chemblId	CHEMBL1303641
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:827525
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:3606052, activity:3619919, activity:3649733, activity:3659173, activity:3673828, activity:3736017, activity:3760943, activity:3771095, activity:3796208, activity:3798852, activity:3949312, activity:4016901, activity:4026835, activity:4139556, activity:4218502, activity:4350581, activity:4383143, activity:4423788, activity:4483304, activity:4526344, activity:4552562, activity:4590117, activity:4644670, activity:4733296, activity:4745479, activity:4848111, activity:5026948, activity:5344407, activity:5438239, activity:5503999, activity:5513643, activity:5518373, activity:5540077, activity:5567658, activity:5602733, activity:5661720, activity:5869266, activity:5902272, activity:5960784, activity:5962575, activity:5963756, activity:6459266, activity:6461413, activity:6528876, activity:6649255, activity:6731913, activity:6770470, activity:6838892, activity:6928798, activity:6997469, activity:7007370, activity:7008355, activity:7052158, activity:7067321, activity:7069906, activity:7552186