287005

Source:http://linkedlifedata.com/resource/chembl/compound/287005

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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/C21H23N5O3/c1-2-3-4-6-14-9-11-15(12-10-14)21(27)22-16-7-5-8-17-19(16)29-18(13-28-17)20-23-25-26-24-20/h5,7-12,18H,2-4,6,13H2,1H3,(H,22,27)(H,23,24,25,26)
chemicalCompound:standardIn...	AGWKNSFJPIXMMS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCc1ccc(cc1)C(=O)Nc2cccc3OCC(Oc23)c4nn[nH]n4
chemicalCompound:molecularF...	C21 H23 N5 O3
chemicalCompound:moleculeId	287005
chemicalCompound:mwFreebase	393.439
chemicalCompound:alogp	4.167
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	102.02
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.932
chemicalCompound:acdLogP	4.099
chemicalCompound:acdLogD	2.113
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	393.439
chemicalCompound:acdMostBpk...	0.523
chemicalCompound:chemblId	CHEMBL172041
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:387005
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:282465