552050

Source:http://linkedlifedata.com/resource/chembl/compound/552050

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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:32408
chemicalCompound:synonym	synonym:552050_MK-801_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C16H15N.ClH/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16;/h2-9,15,17H,10H2,1H3;1H/t15-,16+;/m1./s1
chemicalCompound:standardIn...	NACZHJPKVMBAFY-RCPFAERMSA-N
chemicalCompound:canonicalS...	Cl.C[C@]12N[C@H](Cc3ccccc13)c4ccccc24
chemicalCompound:molecularF...	C16H16ClN
chemicalCompound:moleculeId	552050
chemicalCompound:mwFreebase	221.297
chemicalCompound:alogp	3.041
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.004
chemicalCompound:acdLogD	2.341
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	257.758
chemicalCompound:acdMostBpk...	7.958
chemicalCompound:chemblId	CHEMBL541591
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:652050
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	DIZOCILPINE HYDROCHLORIDE
chemicalCompound:activity	activity:668138, activity:668139, activity:668140