704770

Source:http://linkedlifedata.com/resource/chembl/compound/704770

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:9060
chemicalCompound:standardIn...	InChI=1S/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H
chemicalCompound:standardIn...	RNISDHSYKZAWOK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NCCc1ccc(O)cc1
chemicalCompound:molecularF...	C8H12ClNO
chemicalCompound:moleculeId	704770
chemicalCompound:mwFreebase	137.179
chemicalCompound:alogp	1.015
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	46.25
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.509
chemicalCompound:acdLogP	0.782
chemicalCompound:acdLogD	-1.762
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	173.64
chemicalCompound:acdMostBpk...	10.489
chemicalCompound:chemblId	CHEMBL1255790
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:804770
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:3473546, activity:3789593, activity:3928977, activity:4406999, activity:4741997, activity:4913931, activity:5073044, activity:6819939