1161575

Source:http://linkedlifedata.com/resource/chembl/compound/1161575

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/C22H28ClNO2/c1-21(2)16-22(12-14-26-21,17-7-9-18(23)10-8-17)11-13-24-19-5-4-6-20(15-19)25-3/h4-10,15,24H,11-14,16H2,1-3H3
chemicalCompound:standardIn...	CKWOITIAHCGAAL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(NCCC2(CCOC(C)(C)C2)c3ccc(Cl)cc3)c1
chemicalCompound:molecularF...	C22H28ClNO2
chemicalCompound:moleculeId	1161575
chemicalCompound:mwFreebase	373.916
chemicalCompound:alogp	4.915
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	30.49
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.791
chemicalCompound:acdLogD	5.79
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	373.916
chemicalCompound:acdMostBpk...	4.415
chemicalCompound:chemblId	CHEMBL1800510
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1261575
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:6284612