1176386

Source:http://linkedlifedata.com/resource/chembl/compound/1176386

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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:1193494
chemicalCompound:standardIn...	InChI=1S/C11H16N2O2.ClH/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3,(H,13,14);1H/t10-;/m1./s1
chemicalCompound:standardIn...	YJFAWAJKJGGYOS-HNCPQSOCSA-N
chemicalCompound:canonicalS...	Cl.COC[C@@H](N)C(=O)NCc1ccccc1
chemicalCompound:molecularF...	C11H17ClN2O2
chemicalCompound:moleculeId	1176386
chemicalCompound:mwFreebase	208.257
chemicalCompound:alogp	0
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	64.35
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.864
chemicalCompound:acdLogD	0.844
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	244.718
chemicalCompound:acdMostBpk...	6.467
chemicalCompound:chemblId	CHEMBL1829688
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1276386
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:6371013, activity:6371042, activity:6371043, activity:6371146, activity:6371149, activity:6371158, activity:6371159, activity:6371201, activity:6372158, activity:6372178, activity:6372192, activity:6372193