126974

Source:http://linkedlifedata.com/resource/chembl/compound/126974

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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/C32H34N4O6/c1-22(2)42-31(37)29-23(3)33-24(4)35(30(29)27-17-11-12-18-28(27)36(39)40)32(38)41-20-19-34(26-15-9-6-10-16-26)21-25-13-7-5-8-14-25/h5-18,22,30H,19-21H2,1-4H3
chemicalCompound:standardIn...	NAYWWBULWPPHFW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)OC(=O)C1=C(C)N=C(C)N(C1c2ccccc2[N+](=O)[O-])C(=O)OCCN(Cc3ccccc3)c4ccccc4
chemicalCompound:molecularF...	C32 H34 N4 O6
chemicalCompound:moleculeId	126974
chemicalCompound:mwFreebase	570.636
chemicalCompound:alogp	5.977
chemicalCompound:hba	8
chemicalCompound:hbd	0
chemicalCompound:psa	117.26
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	7.189
chemicalCompound:acdLogD	7.188
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	570.636
chemicalCompound:acdMostBpk...	4.064
chemicalCompound:chemblId	CHEMBL78945
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:226974
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:405095, activity:405096, activity:405097