1165424

Source:http://linkedlifedata.com/resource/chembl/compound/1165424

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1192885
chemicalCompound:standardIn...	InChI=1S/C16H23N3.ClH/c1-13(2)11-15-12-18-16(17)19(15)10-6-9-14-7-4-3-5-8-14;/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H2,17,18);1H
chemicalCompound:standardIn...	PXROCGSFYUXJKI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(C)Cc1cnc(N)n1CCCc2ccccc2
chemicalCompound:molecularF...	C16H24ClN3
chemicalCompound:moleculeId	1165424
chemicalCompound:mwFreebase	257.374
chemicalCompound:alogp	3.599
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	43.84
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.35
chemicalCompound:acdLogD	3.313
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	293.835
chemicalCompound:acdMostBpk...	8.41
chemicalCompound:chemblId	CHEMBL1807736
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1265424
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:6295626, activity:6295648, activity:6295670, activity:6295692, activity:6295714, activity:6295736, activity:6295758, activity:6295780, activity:6295796, activity:6295805, activity:6295814, activity:6295823, activity:6295832