1218594

Source:http://linkedlifedata.com/resource/chembl/compound/1218594

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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/C26H30ClN5O4/c1-17-14-21(31-36-17)29-22(33)11-12-23(34)32(16-18-8-7-13-28-15-18)24(25(35)30-26(2,3)4)19-9-5-6-10-20(19)27/h5-10,13-15,24H,11-12,16H2,1-4H3,(H,30,35)(H,29,31,33)
chemicalCompound:standardIn...	YAEULNKVQJCEII-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1onc(NC(=O)CCC(=O)N(Cc2cccnc2)C(C(=O)NC(C)(C)C)c3ccccc3Cl)c1
chemicalCompound:molecularF...	C26H30ClN5O4
chemicalCompound:moleculeId	1218594
chemicalCompound:mwFreebase	512
chemicalCompound:alogp	2.525
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	117.43
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.69
chemicalCompound:acdLogP	1.968
chemicalCompound:acdLogD	1.968
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	512
chemicalCompound:acdMostBpk...	4.6
chemicalCompound:chemblId	CHEMBL1878023
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1318594
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:6488311, activity:6599820, activity:6943889, activity:7340112