550349

Source:http://linkedlifedata.com/resource/chembl/compound/550349

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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:670732
chemicalCompound:standardIn...	InChI=1S/C22H26ClN5OS.ClH/c23-16-7-8-19(24)18(15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-17-5-1-2-6-20(17)30-26-21;/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29);1H
chemicalCompound:standardIn...	FTYCAQOHLFJNKP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Nc1ccc(Cl)cc1C(=O)NCCCCN2CCN(CC2)c3nsc4ccccc34
chemicalCompound:molecularF...	C22H27Cl2N5OS
chemicalCompound:moleculeId	550349
chemicalCompound:mwFreebase	443.993
chemicalCompound:alogp	3.497
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	102.73
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.614
chemicalCompound:acdLogD	2.863
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	480.454
chemicalCompound:acdMostBpk...	8.254
chemicalCompound:chemblId	CHEMBL558192
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:650349
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:1011039, activity:1011040, activity:1011041, activity:1011042, activity:1011043, activity:1011044