894551

Source:http://linkedlifedata.com/resource/chembl/compound/894551

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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/C21H25N3O4/c1-4-16-5-9-18(10-6-16)22-20(25)13-15(2)23-24-21(26)28-14-17-7-11-19(27-3)12-8-17/h5-12H,4,13-14H2,1-3H3,(H,22,25)(H,24,26)
chemicalCompound:standardIn...	RKKCBMHYHVNUER-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1ccc(NC(=O)CC(=NNC(=O)OCc2ccc(OC)cc2)C)cc1
chemicalCompound:molecularF...	C21H25N3O4
chemicalCompound:moleculeId	894551
chemicalCompound:mwFreebase	383.441
chemicalCompound:alogp	3.443
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	89.02
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.423
chemicalCompound:acdLogP	3.445
chemicalCompound:acdLogD	3.443
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.441
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1470667
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:994551
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:3995753, activity:4980162, activity:6855837, activity:7315346