547311

Source:http://linkedlifedata.com/resource/chembl/compound/547311

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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:666979
chemicalCompound:standardIn...	InChI=1S/C20H23N5O.ClH/c21-13-19(18-7-4-8-22-15-18)24-9-11-25(12-10-24)20(26)16-23-14-17-5-2-1-3-6-17;/h1-8,15,19,23H,9-12,14,16H2;1H
chemicalCompound:standardIn...	LWRYFJVEEVFLIB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.O=C(CNCc1ccccc1)N2CCN(CC2)C(C#N)c3cccnc3
chemicalCompound:molecularF...	C20H24ClN5O
chemicalCompound:moleculeId	547311
chemicalCompound:mwFreebase	349.43
chemicalCompound:alogp	0.889
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	72.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.568
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	385.89
chemicalCompound:acdMostBpk...	7.836
chemicalCompound:chemblId	CHEMBL544368
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:647311
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:532778, activity:532779, activity:532780