803462

Source:http://linkedlifedata.com/resource/chembl/compound/803462

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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/C19H20N2O7/c1-25-14-5-6-16(26-2)15(10-14)21-19(24)20-13-8-11(17(22)27-3)7-12(9-13)18(23)28-4/h5-10H,1-4H3,(H2,20,21,24)
chemicalCompound:standardIn...	RJQZWKYIISZZOL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1cc(NC(=O)Nc2cc(OC)ccc2OC)cc(c1)C(=O)OC
chemicalCompound:molecularF...	C19H20N2O7
chemicalCompound:moleculeId	803462
chemicalCompound:mwFreebase	388.371
chemicalCompound:alogp	2.2
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	112.19
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.272
chemicalCompound:acdLogP	4.863
chemicalCompound:acdLogD	4.863
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	388.371
chemicalCompound:acdMostBpk...	1.125
chemicalCompound:chemblId	CHEMBL1379578
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:903462
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:3985236, activity:4514227, activity:4538516, activity:4888596, activity:5420538, activity:5509637, activity:5527535, activity:5538487, activity:6548325, activity:6718965, activity:8363301, activity:8596094, activity:9767193, activity:10272040