7989

Source:http://linkedlifedata.com/resource/chembl/compound/7989

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/C22H23ClN2O2/c1-14(27)25-8-6-16(7-9-25)21-20-5-4-19(23)11-17(20)2-3-18-10-15(13-26)12-24-22(18)21/h4-5,10-12,26H,2-3,6-9,13H2,1H3
chemicalCompound:standardIn...	MEWHFGOCTSSITK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cc(CO)cnc24)CC1
chemicalCompound:molecularF...	C22 H23 Cl N2 O2
chemicalCompound:moleculeId	7989
chemicalCompound:mwFreebase	382.883
chemicalCompound:alogp	3.404
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	53.43
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.749
chemicalCompound:acdLogP	1.92
chemicalCompound:acdLogD	1.919
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	382.883
chemicalCompound:acdMostBpk...	3.668
chemicalCompound:chemblId	CHEMBL268695
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:107989
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:652994, activity:760105, activity:760106