201837

Source:http://linkedlifedata.com/resource/chembl/compound/201837

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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/C25H22N4O4/c30-22(13-12-19-9-6-16-33-19)26-17-23(31)27-28-24-20-10-4-5-11-21(20)29(25(24)32)15-14-18-7-2-1-3-8-18/h1-13,16,32H,14-15,17H2,(H,26,30)/b13-12+,28-27+
chemicalCompound:standardIn...	CIGGRLQZYDKVPJ-DGBXKLICSA-N
chemicalCompound:canonicalS...	Oc1c(N=NC(=O)CNC(=O)\C=C\c2occc2)c3ccccc3n1CCc4ccccc4
chemicalCompound:molecularF...	C25 H22 N4 O4
chemicalCompound:moleculeId	201837
chemicalCompound:mwFreebase	442.467
chemicalCompound:alogp	5.28
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	109.19
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.95
chemicalCompound:acdLogP	4.842
chemicalCompound:acdLogD	4.72
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	442.467
chemicalCompound:chemblId	CHEMBL435183
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301837
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:413960