674827

Source:http://linkedlifedata.com/resource/chembl/compound/674827

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:581848
chemicalCompound:synonym	synonym:674827_AHR-619_RESEARCH_CODE, synonym:674827_Dopram_TRADE_NAME, synonym:674827_Doxapram Hydrochloride_JAN, synonym:674827_Doxapram Hydrochloride_USAN, synonym:674827_Doxapram_BAN, synonym:674827_Doxapram_INN, synonym:674827_Stimulexin_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C24H30N2O2.ClH/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,22H,2,13-19H2,1H3;1H
chemicalCompound:standardIn...	MBGXILHMHYLZJT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCN1CC(CCN2CCOCC2)C(C1=O)(c3ccccc3)c4ccccc4
chemicalCompound:molecularF...	C24H31ClN2O2
chemicalCompound:moleculeId	674827
chemicalCompound:mwFreebase	378.507
chemicalCompound:alogp	3.043
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	32.78
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.639
chemicalCompound:acdLogD	5.371
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	414.968
chemicalCompound:acdMostBpk...	7.298
chemicalCompound:chemblId	CHEMBL1200876
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774827
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	DOXAPRAM HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:59837
chemicalCompound:activity	activity:5317317, activity:5318268, activity:5319219