1122919

Source:http://linkedlifedata.com/resource/chembl/compound/1122919

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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:34441
chemicalCompound:standardIn...	InChI=1S/C25H24Cl3N3O5.C12H23N/c1-3-4-5-19-30-23(28)18(12-20(32)36-2)31(19)13-14-6-8-15(9-7-14)29-24(33)21-16(26)10-11-17(27)22(21)25(34)35;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h6-11H,3-5,12-13H2,1-2H3,(H,29,33)(H,34,35);11-13H,1-10H2
chemicalCompound:standardIn...	XQEDYBZRWPPJKG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(NC(=O)c3c(Cl)ccc(Cl)c3C(=O)O)cc2.C4CCC(CC4)NC5CCCCC5
chemicalCompound:molecularF...	C37H47Cl3N4O5
chemicalCompound:moleculeId	1122919
chemicalCompound:mwFreebase	552.834
chemicalCompound:alogp	6.145
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.52
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.823
chemicalCompound:acdLogP	3.586
chemicalCompound:acdLogD	0.438
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	734.152
chemicalCompound:acdMostBpk...	4.075
chemicalCompound:chemblId	CHEMBL1744348
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222919
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:667608