122513

Source:http://linkedlifedata.com/resource/chembl/compound/122513

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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/C32H34N6O6/c1-5-23(6-2)44-32(40)43-20(4)42-30(39)26-13-10-14-27-28(26)38(31(33-27)41-7-3)19-21-15-17-22(18-16-21)24-11-8-9-12-25(24)29-34-36-37-35-29/h8-18,20,23H,5-7,19H2,1-4H3,(H,34,35,36,37)
chemicalCompound:standardIn...	WVGSXUNLHNNCAH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC(CC)CC)c2n1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5
chemicalCompound:molecularF...	C32 H34 N6 O6
chemicalCompound:moleculeId	122513
chemicalCompound:mwFreebase	598.649
chemicalCompound:alogp	7.269
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	143.33
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.24
chemicalCompound:acdLogP	8.032
chemicalCompound:acdLogD	6.062
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	598.649
chemicalCompound:acdMostBpk...	3.927
chemicalCompound:chemblId	CHEMBL310622
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:222513
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:1222269, activity:1222270, activity:1222271, activity:1222272, activity:1222273, activity:1222274, activity:1222275, activity:1222276