736707

Source:http://linkedlifedata.com/resource/chembl/compound/736707

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H20Cl2N2O3/c19-13-10-14(20)12-15(11-13)24-17-5-4-16(25-17)18(23)21-6-9-22-7-2-1-3-8-22/h4-5,10-12H,1-3,6-9H2,(H,21,23)
chemicalCompound:standardIn...	IWXDRVCBKUZLLS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cc(Cl)cc(Oc2oc(cc2)C(=O)NCCN3CCCCC3)c1
chemicalCompound:molecularF...	C18H20Cl2N2O3
chemicalCompound:moleculeId	736707
chemicalCompound:mwFreebase	383.269
chemicalCompound:alogp	4.502
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	54.71
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.054
chemicalCompound:acdLogD	2.638
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	383.269
chemicalCompound:acdMostBpk...	8.772
chemicalCompound:chemblId	CHEMBL1312823
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:836707
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:4284683, activity:4491385, activity:5345082, activity:6677472, activity:6725816, activity:6889532, activity:7087539, activity:7214168, activity:7431175, activity:7540088