600494

Source:http://linkedlifedata.com/resource/chembl/compound/600494

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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:672134
chemicalCompound:standardIn...	InChI=1S/C19H22N4O.ClH/c1-2-3-4-5-13-6-8-14(9-7-13)18(24)21-15-10-11-16-17(12-15)23-19(20)22-16;/h6-12H,2-5H2,1H3,(H,21,24)(H3,20,22,23);1H
chemicalCompound:standardIn...	VPXSJCDFNLZUNP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCCCCc1ccc(cc1)C(=O)Nc2ccc3[nH]c(N)nc3c2
chemicalCompound:molecularF...	C19H23ClN4O
chemicalCompound:moleculeId	600494
chemicalCompound:mwFreebase	322.404
chemicalCompound:alogp	4.236
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	83.8
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.635
chemicalCompound:acdLogP	4.26
chemicalCompound:acdLogD	4.148
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	358.865
chemicalCompound:acdMostBpk...	6.794
chemicalCompound:chemblId	CHEMBL598035
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:700494
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:3093655, activity:3093662, activity:3093663, activity:3093664, activity:3093740, activity:3093741, activity:3093754, activity:3093755, activity:3093756, activity:3093818, activity:3093819, activity:3093820, activity:3093821, activity:3093822, activity:3093823, activity:3093824, activity:3093825, activity:3093826