998

Source:http://linkedlifedata.com/resource/chembl/compound/998

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C12H12Cl2N4/c13-8-5-10-11(6-9(8)14)17-12(7-16-10)18-3-1-15-2-4-18/h5-7,15H,1-4H2
chemicalCompound:standardIn...	YHIIYPAPGGCWLA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cc2ncc(nc2cc1Cl)N3CCNCC3
chemicalCompound:molecularF...	C12H12Cl2N4
chemicalCompound:moleculeId	998
chemicalCompound:mwFreebase	283.156
chemicalCompound:alogp	2.745
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.05
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.815
chemicalCompound:acdLogD	0.923
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	283.156
chemicalCompound:acdMostBpk...	8.203
chemicalCompound:chemblId	CHEMBL6901
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100998
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No