69337

Source:http://linkedlifedata.com/resource/chembl/compound/69337

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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/C26H30N6O4/c1-15(33)29-21(13-27)25(35)31-20(11-16-7-3-2-4-8-16)26(36)32-14-22-18(12-23(32)24(28)34)17-9-5-6-10-19(17)30-22/h2-10,20-21,23,30H,11-14,27H2,1H3,(H2,28,34)(H,29,33)(H,31,35)/t20-,21-,23-/m0/s1
chemicalCompound:standardIn...	FRUARZYGYXNJDI-FUDKSRODSA-N
chemicalCompound:canonicalS...	CC(=O)N[C@@H](CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)N
chemicalCompound:molecularF...	C26 H30 N6 O4
chemicalCompound:moleculeId	69337
chemicalCompound:mwFreebase	490.554
chemicalCompound:alogp	0.064
chemicalCompound:hba	5
chemicalCompound:hbd	5
chemicalCompound:psa	163.41
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.325
chemicalCompound:acdLogP	0.183
chemicalCompound:acdLogD	-0.015
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	490.554
chemicalCompound:acdMostBpk...	7.161
chemicalCompound:chemblId	CHEMBL296225
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:169337
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:713295, activity:713296