938414

Source:http://linkedlifedata.com/resource/chembl/compound/938414

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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/C21H21ClN2O2/c1-2-3-6-18(25)24-19(15-7-10-16(22)11-8-15)17-12-9-14-5-4-13-23-20(14)21(17)26/h4-5,7-13,19,26H,2-3,6H2,1H3,(H,24,25)
chemicalCompound:standardIn...	UAXCAMFEQNFDHG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCC(=O)NC(c1ccc(Cl)cc1)c2ccc3cccnc3c2O
chemicalCompound:molecularF...	C21H21ClN2O2
chemicalCompound:moleculeId	938414
chemicalCompound:mwFreebase	368.857
chemicalCompound:alogp	4.757
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	62.22
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.253
chemicalCompound:acdLogP	4.402
chemicalCompound:acdLogD	2.929
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	368.857
chemicalCompound:acdMostBpk...	9.405
chemicalCompound:chemblId	CHEMBL1514530
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1038414
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:4105011, activity:4337112, activity:4397576, activity:4715827, activity:4777178, activity:5380615, activity:5657635, activity:5692501, activity:5785951, activity:5791218, activity:5862107, activity:5873853, activity:5879707, activity:5978655, activity:6430328, activity:6430764, activity:6444695, activity:6473399, activity:6720663, activity:6773158, activity:6838440, activity:6875735, activity:6891976, activity:7001177, activity:7056040, activity:7057060, activity:7302288, activity:7315600, activity:7337319, activity:7349290, activity:7351983, activity:7362608, activity:7450324, activity:7534580, activity:7546553, activity:8283134, activity:10258896, activity:10625454