371236

Source:http://linkedlifedata.com/resource/chembl/compound/371236

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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/C26H28N6O2/c1-17-3-2-4-21(15-17)29-26(33)28-20-8-5-18(6-9-20)22-10-7-19(16-32-11-13-34-14-12-32)24-23(22)25(27)31-30-24/h2-10,15H,11-14,16H2,1H3,(H3,27,30,31)(H2,28,29,33)
chemicalCompound:standardIn...	TWVXVSDWFBDEBO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(NC(=O)Nc2ccc(cc2)c3ccc(CN4CCOCC4)c5[nH]nc(N)c35)c1
chemicalCompound:molecularF...	C26 H28 N6 O2
chemicalCompound:moleculeId	371236
chemicalCompound:mwFreebase	456.54
chemicalCompound:alogp	3.725
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	108.3
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.454
chemicalCompound:acdLogD	3.426
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	456.54
chemicalCompound:acdMostBpk...	6.211
chemicalCompound:chemblId	CHEMBL223572
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:471236
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:1826286, activity:1826298, activity:1826311