771

Source:http://linkedlifedata.com/resource/chembl/compound/771

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C12H13ClN4/c13-11-12(17-7-5-14-6-8-17)16-10-4-2-1-3-9(10)15-11/h1-4,14H,5-8H2
chemicalCompound:standardIn...	MRDAZRADHJDBEF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1nc2ccccc2nc1N3CCNCC3
chemicalCompound:molecularF...	C12H13ClN4
chemicalCompound:moleculeId	771
chemicalCompound:mwFreebase	248.711
chemicalCompound:alogp	2.29
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.05
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.705
chemicalCompound:acdLogD	0.899
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	248.711
chemicalCompound:acdMostBpk...	8.103
chemicalCompound:chemblId	CHEMBL7022
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100771
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No