73167

Source:http://linkedlifedata.com/resource/chembl/compound/73167

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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/C22H14ClN3O/c23-15-9-6-10-16(13-15)26-21-17-11-4-5-12-18(17)24-22(27)19(21)20(25-26)14-7-2-1-3-8-14/h1-13H,(H,24,27)
chemicalCompound:standardIn...	ZXXHAHVMQIRHQO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1nc2ccccc2c3c1c(nn3c4cccc(Cl)c4)c5ccccc5
chemicalCompound:molecularF...	C22 H14 Cl N3 O
chemicalCompound:moleculeId	73167
chemicalCompound:mwFreebase	371.819
chemicalCompound:alogp	6.35
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	50.94
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.842
chemicalCompound:acdLogP	5.037
chemicalCompound:acdLogD	2.54
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	371.819
chemicalCompound:acdMostBpk...	14.181
chemicalCompound:chemblId	CHEMBL416648
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:173167
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:860535, activity:860536