1018741

Source:http://linkedlifedata.com/resource/chembl/compound/1018741

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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/C20H24N6O4/c1-12(22-23-20(28)18-17(26(29)30)13(2)24-25(18)3)14-8-10-16(11-9-14)21-19(27)15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H,21,27)(H,23,28)
chemicalCompound:standardIn...	YLAYHHYWGOGYKQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=NNC(=O)c1c(c(C)nn1C)[N+](=O)[O-])c2ccc(NC(=O)C3CCCC3)cc2
chemicalCompound:molecularF...	C20H24N6O4
chemicalCompound:moleculeId	1018741
chemicalCompound:mwFreebase	412.442
chemicalCompound:alogp	2.572
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	134.19
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.096
chemicalCompound:acdLogP	2.032
chemicalCompound:acdLogD	2.032
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	412.442
chemicalCompound:acdMostBpk...	0.052
chemicalCompound:chemblId	CHEMBL1594857
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1118741
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:3950391, activity:4336466, activity:4693834, activity:4763405, activity:4839529, activity:5602510, activity:5666457, activity:5905765, activity:6769692