512440

Source:http://linkedlifedata.com/resource/chembl/compound/512440

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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/C23H22N4O3/c24-23-25-18(15-4-2-1-3-5-15)13-19(26-23)16-8-10-27(11-9-16)22(28)17-6-7-20-21(12-17)30-14-29-20/h1-7,12-13,16H,8-11,14H2,(H2,24,25,26)
chemicalCompound:standardIn...	UENSAORBCOCFDN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(cc(n1)c2ccccc2)C3CCN(CC3)C(=O)c4ccc5OCOc5c4
chemicalCompound:molecularF...	C23H22N4O3
chemicalCompound:moleculeId	512440
chemicalCompound:mwFreebase	402.446
chemicalCompound:alogp	3.373
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	90.57
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.77
chemicalCompound:acdLogD	2.77
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	402.446
chemicalCompound:acdMostBpk...	3.42
chemicalCompound:chemblId	CHEMBL456317
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:612440
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:2480897, activity:2480941, activity:2481008