1051302

Source:http://linkedlifedata.com/resource/chembl/compound/1051302

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:1120054
chemicalCompound:standardIn...	InChI=1S/2C7H9NO/c21-8-6-2-4-7(9)5-3-6/h22-5,8-9H,1H3
chemicalCompound:standardIn...	CGCCPBDOKDFPEL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNc1ccc(O)cc1.CNc2ccc(O)cc2
chemicalCompound:molecularF...	C14H18N2O2
chemicalCompound:moleculeId	1051302
chemicalCompound:mwFreebase	123.152
chemicalCompound:alogp	1.396
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	32.26
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.315
chemicalCompound:acdLogP	1.075
chemicalCompound:acdLogD	1.069
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	246.305
chemicalCompound:acdMostBpk...	5.908
chemicalCompound:chemblId	CHEMBL1628411
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1151302
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No