843180

Source:http://linkedlifedata.com/resource/chembl/compound/843180

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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/C23H25N5O3/c1-15-20(22(30)25-17-7-4-3-5-8-17)21(16-10-12-18(31-2)13-11-16)28-23(24-15)26-19(27-28)9-6-14-29/h3-5,7-8,10-13,21,29H,6,9,14H2,1-2H3,(H,25,30)(H,24,26,27)
chemicalCompound:standardIn...	OBAFGHPNKQGMRQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C2C(=C(C)Nc3nc(CCCO)nn23)C(=O)Nc4ccccc4
chemicalCompound:molecularF...	C23H25N5O3
chemicalCompound:moleculeId	843180
chemicalCompound:mwFreebase	419.476
chemicalCompound:alogp	2.135
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	101.3
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.76
chemicalCompound:acdLogP	2.86
chemicalCompound:acdLogD	2.86
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	419.476
chemicalCompound:acdMostBpk...	2.904
chemicalCompound:chemblId	CHEMBL1419296
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:943180
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:3621610, activity:4118248, activity:4540111, activity:6567363, activity:7516152