1122177

Source:http://linkedlifedata.com/resource/chembl/compound/1122177

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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:1111
chemicalCompound:standardIn...	InChI=1S/C12H14N4O.ClH/c17-16-9-12(15-7-5-13-6-8-15)14-10-3-1-2-4-11(10)16;/h1-4,9,13H,5-8H2;1H
chemicalCompound:standardIn...	VBQBMPMRHAYIEZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.[O-][n+]1cc(nc2ccccc12)N3CCNCC3
chemicalCompound:molecularF...	C12H15ClN4O
chemicalCompound:moleculeId	1122177
chemicalCompound:mwFreebase	230.266
chemicalCompound:alogp	0.572
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	53.62
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-1.007
chemicalCompound:acdLogD	-1.786
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	266.727
chemicalCompound:acdMostBpk...	8.17
chemicalCompound:chemblId	CHEMBL1743606
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222177
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:1045524, activity:1045525, activity:1045526, activity:1045527, activity:1045528, activity:1045529