1310464

Source:http://linkedlifedata.com/resource/chembl/compound/1310464

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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/C20H20N2O5/c1-26-17-8-14-15(9-18(17)27-11-12-5-3-2-4-6-12)21-19(24)16-7-13(23)10-22(16)20(14)25/h2-6,8-9,13,16,23H,7,10-11H2,1H3,(H,21,24)/t13-,16+/m1/s1
chemicalCompound:standardIn...	MUCMYVAQMSQYSC-CJNGLKHVSA-N
chemicalCompound:canonicalS...	COc1cc2C(=O)N3C[C@H](O)C[C@H]3C(=O)Nc2cc1OCc4ccccc4
chemicalCompound:molecularF...	C20H20N2O5
chemicalCompound:moleculeId	1310464
chemicalCompound:mwFreebase	368.383
chemicalCompound:alogp	1.106
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	88.1
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.892
chemicalCompound:acdLogP	0.959
chemicalCompound:acdLogD	0.959
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	368.383
chemicalCompound:chemblId	CHEMBL1989173
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1410464
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:8243647, activity:8254040, activity:8303623, activity:8318778, activity:8404672, activity:8424807, activity:8482218, activity:8524277, activity:8580638, activity:8600958, activity:8661647, activity:8681971, activity:8772580, activity:8779372, activity:8809253, activity:8856942, activity:8907847, activity:8928431, activity:8971340, activity:9070723, activity:9076277, activity:9099344, activity:9101584, activity:9192708, activity:9236712, activity:9292025, activity:9297662, activity:9360539, activity:9370927, activity:9443572, activity:9454643, activity:9521853, activity:9695565, activity:9705853, activity:9716294, activity:9796105, activity:9867289, activity:9896261, activity:9929954, activity:9967818, activity:10029054, activity:10040348, activity:10085059, activity:10153044, activity:10176626, activity:10217349, activity:10254212, activity:10261082, activity:10276615, activity:10372820, activity:10402181, activity:10446552, activity:10498336, activity:10595442, activity:10606826, activity:10621722, activity:10704576, activity:10724706, activity:10797472