978678

Source:http://linkedlifedata.com/resource/chembl/compound/978678

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H32N6O2/c1-27(2)12-11-25-22(30)23(31)26-18-21(19-7-6-10-24-17-19)29-15-13-28(14-16-29)20-8-4-3-5-9-20/h3-10,17,21H,11-16,18H2,1-2H3,(H,25,30)(H,26,31)
chemicalCompound:standardIn...	CIEKTKINHWNZHL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCNC(=O)C(=O)NCC(N1CCN(CC1)c2ccccc2)c3cccnc3
chemicalCompound:molecularF...	C23H32N6O2
chemicalCompound:moleculeId	978678
chemicalCompound:mwFreebase	424.539
chemicalCompound:alogp	1.096
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	80.81
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.365
chemicalCompound:acdLogP	1.016
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.539
chemicalCompound:acdMostBpk...	8.352
chemicalCompound:chemblId	CHEMBL1554794
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1078678
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:3612975, activity:3999534, activity:4495262, activity:4689250, activity:4858465, activity:5421112, activity:7375063