145673

Source:http://linkedlifedata.com/resource/chembl/compound/145673

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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/C35H27N3O6/c1-23-11-13-24(14-12-23)21-34(40)37-30-18-15-26(22-29(30)35(41)25-7-3-2-4-8-25)36-33(39)20-17-27-16-19-32(44-27)28-9-5-6-10-31(28)38(42)43/h2-20,22H,21H2,1H3,(H,36,39)(H,37,40)/b20-17+
chemicalCompound:standardIn...	ZOCCIJUODQWMPU-LVZFUZTISA-N
chemicalCompound:canonicalS...	Cc1ccc(CC(=O)Nc2ccc(NC(=O)\C=C\c3oc(cc3)c4ccccc4[N+](=O)[O-])cc2C(=O)c5ccccc5)cc1
chemicalCompound:molecularF...	C35 H27 N3 O6
chemicalCompound:moleculeId	145673
chemicalCompound:mwFreebase	585.605
chemicalCompound:alogp	6.891
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	134.22
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.897
chemicalCompound:acdLogP	6.406
chemicalCompound:acdLogD	6.406
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	585.605
chemicalCompound:acdMostBpk...	0.085
chemicalCompound:chemblId	CHEMBL327475
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:245673
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:624204