764612

Source:http://linkedlifedata.com/resource/chembl/compound/764612

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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/C19H16BrN3O4/c1-2-23-14-10-6-4-8-12(14)16(24)15(19(23)27)18(26)22-21-17(25)11-7-3-5-9-13(11)20/h3-10,24H,2H2,1H3,(H,21,25)(H,22,26)
chemicalCompound:standardIn...	ZGKFLGVGABDSQB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1C(=O)C(=C(O)c2ccccc12)C(=O)NNC(=O)c3ccccc3Br
chemicalCompound:molecularF...	C19H16BrN3O4
chemicalCompound:moleculeId	764612
chemicalCompound:mwFreebase	430.252
chemicalCompound:alogp	2.019
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	98.74
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	2.265
chemicalCompound:acdLogD	-0.347
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	430.252
chemicalCompound:chemblId	CHEMBL1340728
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:864612
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:4072316, activity:4433380, activity:4456385, activity:4550001, activity:4722603, activity:4781883, activity:5407838, activity:5466509, activity:5614300, activity:6839213, activity:7294852, activity:7341935, activity:7520487