756014

Source:http://linkedlifedata.com/resource/chembl/compound/756014

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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/C25H24N4O5/c1-29(2)18-14-12-17(13-15-18)27-28-22-11-7-5-9-20(22)25(32)34-16-23(30)26-21-10-6-4-8-19(21)24(31)33-3/h4-15H,16H2,1-3H3,(H,26,30)
chemicalCompound:standardIn...	VCXCXPZXYKZPAB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1ccccc1NC(=O)COC(=O)c2ccccc2N=Nc3ccc(cc3)N(C)C
chemicalCompound:molecularF...	C25H24N4O5
chemicalCompound:moleculeId	756014
chemicalCompound:mwFreebase	460.482
chemicalCompound:alogp	4.708
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	109.66
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.9
chemicalCompound:acdLogP	6.51
chemicalCompound:acdLogD	6.51
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	460.482
chemicalCompound:acdMostBpk...	3.284
chemicalCompound:chemblId	CHEMBL1332130
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:856014
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:3627559, activity:3758713, activity:3862517, activity:3926843, activity:3947340, activity:4031182, activity:4560297, activity:4623638, activity:4713476, activity:4980828, activity:5029698, activity:5365882, activity:5478273, activity:5557370, activity:5768233, activity:5779642, activity:5848888, activity:5929050, activity:6426592, activity:6511073, activity:6598023, activity:6732470, activity:7168543, activity:7415797