478662

Source:http://linkedlifedata.com/resource/chembl/compound/478662

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:661189
chemicalCompound:standardIn...	InChI=1S/C21H28N4O4.ClH/c1-24-20(22)14-6-8-16(18(12-14)26-3)28-10-5-11-29-17-9-7-15(21(23)25-2)13-19(17)27-4;/h6-9,12-13H,5,10-11H2,1-4H3,(H2,22,24)(H2,23,25);1H
chemicalCompound:standardIn...	QAYXWYVJCHVGFH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CNC(=N)c1ccc(OCCCOc2ccc(cc2OC)C(=N)NC)c(OC)c1
chemicalCompound:molecularF...	C21H29ClN4O4
chemicalCompound:moleculeId	478662
chemicalCompound:mwFreebase	400.471
chemicalCompound:alogp	2
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	108.68
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.51
chemicalCompound:acdLogD	-1.49
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	436.932
chemicalCompound:acdMostBpk...	12.492
chemicalCompound:chemblId	CHEMBL494586
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:578662
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:2281018, activity:2281051, activity:2281814, activity:2281867, activity:2281920, activity:2281928, activity:2281967