778057

Source:http://linkedlifedata.com/resource/chembl/compound/778057

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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/C22H19ClN2O/c23-18-11-7-10-17(14-18)22-21(16-8-3-1-4-9-16)20(15-26)25(24-22)19-12-5-2-6-13-19/h1-14,20-21,26H,15H2/t20-,21-/m1/s1
chemicalCompound:standardIn...	LPIDPZNMVVBJHZ-NHCUHLMSSA-N
chemicalCompound:canonicalS...	OC[C@@H]1[C@H](C(=NN1c2ccccc2)c3cccc(Cl)c3)c4ccccc4
chemicalCompound:molecularF...	C22H19ClN2O
chemicalCompound:moleculeId	778057
chemicalCompound:mwFreebase	362.852
chemicalCompound:alogp	5.217
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.83
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.339
chemicalCompound:acdLogD	3.339
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	362.852
chemicalCompound:chemblId	CHEMBL1354173
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:878057
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:3696476, activity:3933701, activity:3934595, activity:3959401, activity:3990442, activity:4006543, activity:4043069, activity:4166616, activity:4500017, activity:4508469, activity:4566721, activity:4604736, activity:4776802, activity:4849149, activity:5335943, activity:5348486, activity:5394724, activity:5559617, activity:5587657, activity:5771557, activity:5875698, activity:5975012, activity:6599926, activity:6735684, activity:6756125, activity:7021895, activity:7075078, activity:7294223, activity:7476100