1144255

Source:http://linkedlifedata.com/resource/chembl/compound/1144255

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:388259
chemicalCompound:standardIn...	InChI=1S/C23H22N2O3.ClH/c26-22-18-8-3-2-7-17(18)21-20(22)16-6-1-4-9-19(16)23(27)25(21)11-5-10-24-12-14-28-15-13-24;/h1-4,6-9H,5,10-15H2;1H
chemicalCompound:standardIn...	HOXXQYIEHRYRQT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.O=C1N(CCCN2CCOCC2)C3=C(C(=O)c4ccccc34)c5ccccc15
chemicalCompound:molecularF...	C23H23ClN2O3
chemicalCompound:moleculeId	1144255
chemicalCompound:mwFreebase	374.432
chemicalCompound:alogp	2.104
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	49.85
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.853
chemicalCompound:acdLogD	0.633
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	410.893
chemicalCompound:acdMostBpk...	7.219
chemicalCompound:chemblId	CHEMBL1773220
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1244255
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:6184412, activity:6184417, activity:6184422, activity:6184427, activity:6184432, activity:6184438, activity:6184449, activity:6184454, activity:6199388, activity:6199393