888722

Source:http://linkedlifedata.com/resource/chembl/compound/888722

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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/C19H21N3O7/c1-21-17(20)16(18(25)22(2)19(21)26)13(23)10-29-15(24)8-5-11-9-12(27-3)6-7-14(11)28-4/h5-9H,10,20H2,1-4H3/b8-5+
chemicalCompound:standardIn...	ZNQPEBQSTRGCTK-VMPITWQZSA-N
chemicalCompound:canonicalS...	COc1ccc(OC)c(\C=C\C(=O)OCC(=O)C2=C(N)N(C)C(=O)N(C)C2=O)c1
chemicalCompound:molecularF...	C19H21N3O7
chemicalCompound:moleculeId	888722
chemicalCompound:mwFreebase	403.386
chemicalCompound:alogp	0.677
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	128.47
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.725
chemicalCompound:acdLogD	1.725
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	403.386
chemicalCompound:acdMostBpk...	2.052
chemicalCompound:chemblId	CHEMBL1464838
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:988722
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:3639898, activity:3718600, activity:4154464, activity:4252654, activity:5048359, activity:5412936, activity:5498256, activity:5865127, activity:6737592, activity:6865351, activity:7544425