340774

Source:http://linkedlifedata.com/resource/chembl/compound/340774

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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/C28H28N4O/c1-3-32(4-2)28(33)19-13-14-23-26(17-19)31-25-12-8-6-10-22(25)27(23)29-16-15-20-18-30-24-11-7-5-9-21(20)24/h5-14,17-18,30H,3-4,15-16H2,1-2H3,(H,29,31)
chemicalCompound:standardIn...	AQOIQRMMKJHQDJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)C(=O)c1ccc2c(NCCc3c[nH]c4ccccc34)c5ccccc5nc2c1
chemicalCompound:molecularF...	C28 H28 N4 O
chemicalCompound:moleculeId	340774
chemicalCompound:mwFreebase	436.548
chemicalCompound:alogp	5.471
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	61.02
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.485
chemicalCompound:acdLogD	3.717
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	436.548
chemicalCompound:acdMostBpk...	8.079
chemicalCompound:chemblId	CHEMBL203173
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:440774
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:1692337, activity:1692375, activity:1692411, activity:1692440, activity:1692465, activity:1692488, activity:1692511, activity:2066482, activity:2066486, activity:2066489, activity:2066492, activity:2066504, activity:2066507, activity:2066510, activity:2066513, activity:2066519, activity:2066522, activity:2066527, activity:2066530, activity:2066539, activity:2066540, activity:2066541, activity:2717405, activity:2717406, activity:2717407, activity:2717408, activity:2717409, activity:2717410, activity:2717411, activity:2717412, activity:2717413, activity:2717416, activity:2717422