1075132

Source:http://linkedlifedata.com/resource/chembl/compound/1075132

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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/C26H25ClN6O3/c1-16-3-8-20(31-26(35)30-19-9-6-18(27)7-10-19)13-22(16)25(34)32-23-14-29-33(24(23)28)15-17-4-11-21(36-2)12-5-17/h3-14H,15,28H2,1-2H3,(H,32,34)(H2,30,31,35)
chemicalCompound:standardIn...	OVELEROMXKEUOG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)cc4)ccc3C)c2N)cc1
chemicalCompound:molecularF...	C26H25ClN6O3
chemicalCompound:moleculeId	1075132
chemicalCompound:mwFreebase	504.968
chemicalCompound:alogp	4.053
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	123.29
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.93
chemicalCompound:acdLogP	4.887
chemicalCompound:acdLogD	4.886
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	504.968
chemicalCompound:acdMostBpk...	3.287
chemicalCompound:chemblId	CHEMBL1684809
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1175132
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:5249843, activity:5249910