1235029

Source:http://linkedlifedata.com/resource/chembl/compound/1235029

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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/C16H15Cl2N3O/c17-13-5-4-12(11-14(13)18)16(22)21-9-7-20(8-10-21)15-3-1-2-6-19-15/h1-6,11H,7-10H2
chemicalCompound:standardIn...	UUODTWNFKMDTEE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(cc1Cl)C(=O)N2CCN(CC2)c3ccccn3
chemicalCompound:molecularF...	C16H15Cl2N3O
chemicalCompound:moleculeId	1235029
chemicalCompound:mwFreebase	336.216
chemicalCompound:alogp	3.59
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	36.44
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.101
chemicalCompound:acdLogD	3.048
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.216
chemicalCompound:acdMostBpk...	8.428
chemicalCompound:chemblId	CHEMBL1894458
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1335029
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:6504144, activity:6655485, activity:6957152, activity:7240982, activity:7517958