550424

Source:http://linkedlifedata.com/resource/chembl/compound/550424

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:4637
chemicalCompound:synonym	synonym:550424_Dazoxiben hydrochloride_OTHER
chemicalCompound:standardIn...	InChI=1S/C12H12N2O3.ClH/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14;/h1-6,9H,7-8H2,(H,15,16);1H
chemicalCompound:standardIn...	PVKDFUXBDJPRGU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.OC(=O)c1ccc(OCCn2ccnc2)cc1
chemicalCompound:molecularF...	C12H13ClN2O3
chemicalCompound:moleculeId	550424
chemicalCompound:mwFreebase	232.235
chemicalCompound:alogp	1.185
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	64.34
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.412
chemicalCompound:acdLogP	1.283
chemicalCompound:acdLogD	-1.429
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	268.696
chemicalCompound:acdMostBpk...	6.713
chemicalCompound:chemblId	CHEMBL537708
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:650424
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:705025, activity:1136578, activity:1136579, activity:1136580, activity:1136581, activity:1136582, activity:1136583, activity:1136584, activity:1136585, activity:1136586, activity:1136587, activity:1136588, activity:1136589, activity:1136590, activity:1136591, activity:1136592, activity:1136593, activity:1136594, activity:1136595, activity:1136596, activity:3666721, activity:4376498, activity:4570928, activity:4599201, activity:5367136, activity:5711916, activity:5814945, activity:6499237, activity:7096910, activity:7274912, activity:7379566, activity:7472311