543559

Source:http://linkedlifedata.com/resource/chembl/compound/543559

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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:667443
chemicalCompound:standardIn...	InChI=1S/C23H29N5OS.ClH/c1-17-7-6-9-19(21(17)24)23(29)25-11-4-5-12-27-13-15-28(16-14-27)22-18-8-2-3-10-20(18)30-26-22;/h2-3,6-10H,4-5,11-16,24H2,1H3,(H,25,29);1H
chemicalCompound:standardIn...	PEWJXRVESBWGKJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1cccc(C(=O)NCCCCN2CCN(CC2)c3nsc4ccccc34)c1N
chemicalCompound:molecularF...	C23H30ClN5OS
chemicalCompound:moleculeId	543559
chemicalCompound:mwFreebase	423.574
chemicalCompound:alogp	3.319
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	102.73
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.844
chemicalCompound:acdLogD	2.091
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	460.035
chemicalCompound:acdMostBpk...	8.254
chemicalCompound:chemblId	CHEMBL544909
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:643559
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:1006122, activity:1006123, activity:1006124, activity:1006125, activity:1006126, activity:1006127