963550

Source:http://linkedlifedata.com/resource/chembl/compound/963550

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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:1046379
chemicalCompound:standardIn...	InChI=1S/C13H17NO.ClH/c1-2-13(15-5-1)9-14-8-12-7-10-3-4-11(12)6-10;/h1-5,10-12,14H,6-9H2;1H
chemicalCompound:standardIn...	ZIANLNYVSRQZNH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.C(NCc1occc1)C2CC3CC2C=C3
chemicalCompound:molecularF...	C13H18ClNO
chemicalCompound:moleculeId	963550
chemicalCompound:mwFreebase	203.28
chemicalCompound:alogp	1.969
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	25.17
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.261
chemicalCompound:acdLogD	2.044
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	239.741
chemicalCompound:acdMostBpk...	8.595
chemicalCompound:chemblId	CHEMBL1539666
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1063550
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:4416093, activity:4480255, activity:5681292, activity:5804655, activity:6509078, activity:6633194, activity:7447301