677418

Source:http://linkedlifedata.com/resource/chembl/compound/677418

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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:251790
chemicalCompound:standardIn...	InChI=1S/C14H24N4O.ClH/c1-11-9-12(2)15-13(10-11)18(8-7-16(3)4)14(19)17(5)6;/h9-10H,7-8H2,1-6H3;1H
chemicalCompound:standardIn...	NLLXQIWDBKCSSM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(C)CCN(C(=O)N(C)C)c1cc(C)cc(C)n1
chemicalCompound:molecularF...	C14H25ClN4O
chemicalCompound:moleculeId	677418
chemicalCompound:mwFreebase	264.367
chemicalCompound:alogp	1.654
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	39.68
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	-0.221
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	300.827
chemicalCompound:acdMostBpk...	8.035
chemicalCompound:chemblId	CHEMBL1203467
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:777418
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:614902, activity:614903, activity:614904