371218

Source:http://linkedlifedata.com/resource/chembl/compound/371218

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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/C27H30N6O2/c1-19-4-2-5-22(18-19)30-27(34)29-21-10-8-20(9-11-21)23-6-3-7-24-25(23)26(28)31-33(24)13-12-32-14-16-35-17-15-32/h2-11,18H,12-17H2,1H3,(H2,28,31)(H2,29,30,34)
chemicalCompound:standardIn...	IOEOFPWILLIIMB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(NC(=O)Nc2ccc(cc2)c3cccc4c3c(N)nn4CCN5CCOCC5)c1
chemicalCompound:molecularF...	C27 H30 N6 O2
chemicalCompound:moleculeId	371218
chemicalCompound:mwFreebase	470.566
chemicalCompound:alogp	3.996
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	97.44
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.981
chemicalCompound:acdLogD	2.925
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	470.566
chemicalCompound:acdMostBpk...	6.646
chemicalCompound:chemblId	CHEMBL223237
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:471218
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:1826157, activity:1826193