529339

Source:http://linkedlifedata.com/resource/chembl/compound/529339

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:524415
chemicalCompound:standardIn...	InChI=1S/C24H35ClN2O2.ClH/c1-28-23-12-11-20(19-24(23)29-2)13-17-26-15-7-3-4-8-16-27-18-14-21-9-5-6-10-22(21)25;/h5-6,9-12,19,26-27H,3-4,7-8,13-18H2,1-2H3;1H
chemicalCompound:standardIn...	IIUMXDGFMYNQCL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc(CCNCCCCCCNCCc2ccccc2Cl)cc1OC
chemicalCompound:molecularF...	C24H36Cl2N2O2
chemicalCompound:moleculeId	529339
chemicalCompound:mwFreebase	419
chemicalCompound:alogp	5.382
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	42.52
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.187
chemicalCompound:acdLogD	1.115
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	455.461
chemicalCompound:acdMostBpk...	10.251
chemicalCompound:chemblId	CHEMBL524400
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:629339
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:2819505, activity:2829006, activity:2832964, activity:2834124, activity:2835469, activity:2889942