742721

Source:http://linkedlifedata.com/resource/chembl/compound/742721

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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/C23H26N4O4/c1-2-31-23(30)26-11-8-18(9-12-26)25-21(28)19-7-3-6-17-15-27(22(29)20(17)19)14-16-5-4-10-24-13-16/h3-7,10,13,18H,2,8-9,11-12,14-15H2,1H3,(H,25,28)
chemicalCompound:standardIn...	PVTIYQAXFNIBPX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)N1CCC(CC1)NC(=O)c2cccc3CN(Cc4cccnc4)C(=O)c23
chemicalCompound:molecularF...	C23H26N4O4
chemicalCompound:moleculeId	742721
chemicalCompound:mwFreebase	422.477
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	91.84
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.211
chemicalCompound:acdLogD	1.21
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.477
chemicalCompound:acdMostBpk...	4.683
chemicalCompound:chemblId	CHEMBL1318837
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:842721
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:3921867, activity:4129935, activity:4413495, activity:4524462, activity:5574219, activity:6566395