548406

Source:http://linkedlifedata.com/resource/chembl/compound/548406

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:921
chemicalCompound:standardIn...	InChI=1S/C15H12N2O2.ClH/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);1H
chemicalCompound:standardIn...	WWVSRSBVTDLJAH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C15H13ClN2O2
chemicalCompound:moleculeId	548406
chemicalCompound:mwFreebase	252.268
chemicalCompound:alogp	2.105
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	58.2
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.278
chemicalCompound:acdLogP	1.421
chemicalCompound:acdLogD	1.384
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	288.729
chemicalCompound:chemblId	CHEMBL553532
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:648406
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PHENYTOIN CHLORIDE
chemicalCompound:activity	activity:1099635, activity:1099636, activity:1099637, activity:1099638