1028276

Source:http://linkedlifedata.com/resource/chembl/compound/1028276

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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/C23H16N2O4/c26-18-12-5-15(6-13-18)7-14-21-24-20-4-2-1-3-19(20)22(27)25(21)17-10-8-16(9-11-17)23(28)29/h1-14,26H,(H,28,29)/b14-7-
chemicalCompound:standardIn...	MDOFFYPSLKIDGH-AUWJEWJLSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccc(cc1)N2C(=Nc3ccccc3C2=O)\C=C/c4ccc(O)cc4
chemicalCompound:molecularF...	C23H16N2O4
chemicalCompound:moleculeId	1028276
chemicalCompound:mwFreebase	384.384
chemicalCompound:alogp	4.131
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	90.2
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.286
chemicalCompound:acdLogP	4.058
chemicalCompound:acdLogD	1.329
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	384.384
chemicalCompound:acdMostBpk...	1.251
chemicalCompound:chemblId	CHEMBL1604392
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1128276
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:3996263, activity:4468026, activity:7251180, activity:7384494