218954

Source:http://linkedlifedata.com/resource/chembl/compound/218954

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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/C22H16Cl2N4O/c1-13-25-12-15-11-16(20-17(23)8-5-9-18(20)24)22(28-21(15)26-13)27-19(29)10-14-6-3-2-4-7-14/h2-9,11-12H,10H2,1H3,(H,25,26,27,28,29)
chemicalCompound:standardIn...	CFDLHVOINQTDQC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ncc2cc(c(NC(=O)Cc3ccccc3)nc2n1)c4c(Cl)cccc4Cl
chemicalCompound:molecularF...	C22 H16 Cl2 N4 O
chemicalCompound:moleculeId	218954
chemicalCompound:mwFreebase	423.295
chemicalCompound:alogp	4.594
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	67.77
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.696
chemicalCompound:acdLogP	5.567
chemicalCompound:acdLogD	5.562
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	423.295
chemicalCompound:acdMostBpk...	1.166
chemicalCompound:chemblId	CHEMBL133581
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318954
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:302006, activity:302007, activity:302008, activity:302009