286048

Source:http://linkedlifedata.com/resource/chembl/compound/286048

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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/C23H21N5O4/c1-2-3-4-5-13-31-16-11-9-15(10-12-16)23(30)24-18-8-6-7-17-19(29)14-20(32-21(17)18)22-25-27-28-26-22/h4-12,14H,2-3,13H2,1H3,(H,24,30)(H,25,26,27,28)/b5-4+
chemicalCompound:standardIn...	CJJZKNPQCCVQGX-SNAWJCMRSA-N
chemicalCompound:canonicalS...	CCC\C=C\COc1ccc(cc1)C(=O)Nc2cccc3C(=O)C=C(Oc23)c4nn[nH]n4
chemicalCompound:molecularF...	C23 H21 N5 O4
chemicalCompound:moleculeId	286048
chemicalCompound:mwFreebase	431.444
chemicalCompound:alogp	3.787
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	119.08
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.331
chemicalCompound:acdLogP	3.092
chemicalCompound:acdLogD	1.368
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	431.444
chemicalCompound:acdMostBpk...	1.403
chemicalCompound:chemblId	CHEMBL422917
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:386048
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:297172