1287991

Source:http://linkedlifedata.com/resource/chembl/compound/1287991

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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/C22H20N4O3/c1-15(25-26-22(28)18-11-13-23-14-12-18)16-3-7-19(8-4-16)24-21(27)17-5-9-20(29-2)10-6-17/h3-14H,1-2H3,(H,24,27)(H,26,28)/b25-15+
chemicalCompound:standardIn...	NEQNWYSPLFAEHL-MFKUBSTISA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C(=O)Nc2ccc(cc2)\C(=N\NC(=O)c3ccncc3)\C
chemicalCompound:molecularF...	C22H20N4O3
chemicalCompound:moleculeId	1287991
chemicalCompound:mwFreebase	388.419
chemicalCompound:alogp	2.281
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	92.68
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.793
chemicalCompound:acdLogP	2.53
chemicalCompound:acdLogD	2.529
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	388.419
chemicalCompound:acdMostBpk...	3.608
chemicalCompound:chemblId	CHEMBL1966700
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1387991
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:3736033, activity:3819523, activity:3861176, activity:4382646, activity:4704601, activity:4733312, activity:4745495, activity:4939391, activity:5571696, activity:5684323, activity:5790612, activity:5882238, activity:7161839, activity:7377211, activity:9542338, activity:10572910, activity:10629730