544096

Source:http://linkedlifedata.com/resource/chembl/compound/544096

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:5666
chemicalCompound:synonym	synonym:544096_Phencyclidine hydrochloride_OTHER, synonym:544096_Sernyl_TRADE_NAME, synonym:544096_Sernylan_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C17H25N.ClH/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18;/h1,4-5,10-11H,2-3,6-9,12-15H2;1H
chemicalCompound:standardIn...	BUAJNGPDPGKBGV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.C1CCN(CC1)C2(CCCCC2)c3ccccc3
chemicalCompound:molecularF...	C17H26ClN
chemicalCompound:moleculeId	544096
chemicalCompound:mwFreebase	243.387
chemicalCompound:alogp	4.535
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.251
chemicalCompound:acdLogD	3.38
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	279.848
chemicalCompound:acdMostBpk...	8.21
chemicalCompound:chemblId	CHEMBL542581
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:644096
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	PHENCYCLIDINE HCL SALT
chemicalCompound:activity	activity:99732, activity:99733, activity:518513, activity:518514, activity:518515, activity:1293620, activity:1293621, activity:1293622, activity:6648359, activity:6743108, activity:6757982, activity:6842847, activity:6894087, activity:6924033