547289

Source:http://linkedlifedata.com/resource/chembl/compound/547289

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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:721
chemicalCompound:standardIn...	InChI=1S/C16H13ClN2O.ClH/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;/h2-9H,10H2,1H3;1H
chemicalCompound:standardIn...	BPYZIOINRAWEQL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
chemicalCompound:molecularF...	C16H14Cl2N2O
chemicalCompound:moleculeId	547289
chemicalCompound:mwFreebase	284.74
chemicalCompound:alogp	3.171
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	32.67
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.801
chemicalCompound:acdLogD	2.801
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	321.201
chemicalCompound:acdMostBpk...	3.398
chemicalCompound:chemblId	CHEMBL543191
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:647289
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	DIAZEPAM HYDROCHLORIDE
chemicalCompound:activity	activity:1096067