434164

Source:http://linkedlifedata.com/resource/chembl/compound/434164

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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/C28H29N7O2/c1-33-10-12-34(13-11-33)21-7-3-6-20(15-21)31-28-30-16-23-25(36)24(26(29)37)17-35(27(23)32-28)22-9-8-18-4-2-5-19(18)14-22/h3,6-9,14-17H,2,4-5,10-13H2,1H3,(H2,29,37)(H,30,31,32)
chemicalCompound:standardIn...	QYLZFFVSZPHIMA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)c2cccc(Nc3ncc4C(=O)C(=CN(c5ccc6CCCc6c5)c4n3)C(=O)N)c2
chemicalCompound:molecularF...	C28 H29 N7 O2
chemicalCompound:moleculeId	434164
chemicalCompound:mwFreebase	495.576
chemicalCompound:alogp	3.493
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	107.68
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.418
chemicalCompound:acdLogP	0.532
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	495.576
chemicalCompound:acdMostBpk...	7.779
chemicalCompound:chemblId	CHEMBL255584
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:534164
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:2122133, activity:2122157