450761

Source:http://linkedlifedata.com/resource/chembl/compound/450761

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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:413905
chemicalCompound:synonym	synonym:450761_BMS-345541_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C14H17N5.ClH/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18);1H
chemicalCompound:standardIn...	MIDKPVLYXNLFGZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1
chemicalCompound:molecularF...	C14H18ClN5
chemicalCompound:moleculeId	450761
chemicalCompound:mwFreebase	255.318
chemicalCompound:alogp	1
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	68.23
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.823
chemicalCompound:acdLogD	1.13
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	291.779
chemicalCompound:acdMostBpk...	9.018
chemicalCompound:chemblId	CHEMBL471496
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:550761
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:1895209, activity:1895218, activity:1895227, activity:1895237, activity:1895238, activity:2359146, activity:6362714, activity:6363389