1144509

Source:http://linkedlifedata.com/resource/chembl/compound/1144509

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/C25H27N3O2/c1-18(2)24-22(29)15-21(19-9-5-3-6-10-19)28(23(30)16-27-14-13-26-17-27)25(24)20-11-7-4-8-12-20/h3-14,17-18,21,24-25H,15-16H2,1-2H3
chemicalCompound:standardIn...	AHUKDBFUVJNLJK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)C1C(N(C(CC1=O)c2ccccc2)C(=O)Cn3ccnc3)c4ccccc4
chemicalCompound:molecularF...	C25H27N3O2
chemicalCompound:moleculeId	1144509
chemicalCompound:mwFreebase	401.501
chemicalCompound:alogp	3.348
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	55.2
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.634
chemicalCompound:acdLogD	4.578
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	401.501
chemicalCompound:acdMostBpk...	6.537
chemicalCompound:chemblId	CHEMBL1773471
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1244509
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:6195153, activity:6195164, activity:6195175, activity:6195186, activity:6195197, activity:6195208, activity:6195219, activity:6195230, activity:6195241, activity:6195252