592176

Source:http://linkedlifedata.com/resource/chembl/compound/592176

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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/C28H30N4O3/c1-20(33)29-23-13-14-25(24(19-23)27(34)22-11-7-4-8-12-22)30-28(35)26(21-9-5-3-6-10-21)32-17-15-31(2)16-18-32/h3-14,19,26H,15-18H2,1-2H3,(H,29,33)(H,30,35)
chemicalCompound:standardIn...	XQWUFIYFBUXPPP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)C(C(=O)Nc2ccc(NC(=O)C)cc2C(=O)c3ccccc3)c4ccccc4
chemicalCompound:molecularF...	C28H30N4O3
chemicalCompound:moleculeId	592176
chemicalCompound:mwFreebase	470.563
chemicalCompound:alogp	3.157
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	81.75
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.839
chemicalCompound:acdLogP	4.127
chemicalCompound:acdLogD	3.867
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	470.563
chemicalCompound:acdMostBpk...	7.351
chemicalCompound:chemblId	CHEMBL605728
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:692176
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:3060483, activity:3060490, activity:3060492, activity:3060496, activity:3060521, activity:3060536, activity:3060555