150563

Source:http://linkedlifedata.com/resource/chembl/compound/150563

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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/C26H25N3O6/c1-2-13-29(16-18-5-6-19-11-12-27-25(33)21(19)14-18)15-17-3-7-20(8-4-17)24(32)28-22(26(34)35)9-10-23(30)31/h1,3-8,11-12,14,22H,9-10,13,15-16H2,(H,27,33)(H,28,32)(H,30,31)(H,34,35)
chemicalCompound:standardIn...	ZFHXKQTVJQOCPS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CCC(NC(=O)c1ccc(CN(CC#C)Cc2ccc3ccnc(O)c3c2)cc1)C(=O)O
chemicalCompound:molecularF...	C26 H25 N3 O6
chemicalCompound:moleculeId	150563
chemicalCompound:mwFreebase	475.493
chemicalCompound:alogp	0.575
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	140.06
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.757
chemicalCompound:acdLogP	1.099
chemicalCompound:acdLogD	-3.483
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	475.493
chemicalCompound:acdMostBpk...	9.734
chemicalCompound:chemblId	CHEMBL92234
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:250563
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:791067, activity:791068, activity:791069, activity:791070, activity:791071, activity:791072, activity:791073, activity:791074