1148851

Source:http://linkedlifedata.com/resource/chembl/compound/1148851

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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:1153178
chemicalCompound:standardIn...	InChI=1S/C18H26ClN5O.ClH/c19-14-7-9-15(10-8-14)25-12-4-11-21-18-23-16(22-17(20)24-18)13-5-2-1-3-6-13;/h7-10,13,16H,1-6,11-12H2,(H4,20,21,22,23,24);1H
chemicalCompound:standardIn...	HFEXNQMOOOJRRL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NC1=NC(NC(=N1)NCCCOc2ccc(Cl)cc2)C3CCCCC3
chemicalCompound:molecularF...	C18H27Cl2N5O
chemicalCompound:moleculeId	1148851
chemicalCompound:mwFreebase	363.885
chemicalCompound:alogp	3.901
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	84.03
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.175
chemicalCompound:acdLogD	3.202
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	400.346
chemicalCompound:acdMostBpk...	11.207
chemicalCompound:chemblId	CHEMBL1782197
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1248851
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:6215142, activity:6216069