676753

Source:http://linkedlifedata.com/resource/chembl/compound/676753

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:112108
chemicalCompound:standardIn...	InChI=1S/C16H17N3O.ClH/c1-10-4-9-13(20)15-14(10)17-16(18-15)11-5-7-12(8-6-11)19(2)3;/h4-9,20H,1-3H3,(H,17,18);1H
chemicalCompound:standardIn...	XCOLRWDACPOWLH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(C)c1ccc(cc1)c2nc3c(C)ccc(O)c3[nH]2
chemicalCompound:molecularF...	C16H18ClN3O
chemicalCompound:moleculeId	676753
chemicalCompound:mwFreebase	267.326
chemicalCompound:alogp	3.677
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	52.15
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.436
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.953
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	303.787
chemicalCompound:acdMostBpk...	5.466
chemicalCompound:chemblId	CHEMBL1202802
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776753
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:1267787