674962

Source:http://linkedlifedata.com/resource/chembl/compound/674962

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:454141
chemicalCompound:synonym	synonym:674962_CI-906_RESEARCH_CODE, synonym:674962_Quinapril Hydrochloride_USAN, synonym:674962_Quinapril_BAN, synonym:674962_Quinapril_INN
chemicalCompound:standardIn...	InChI=1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1
chemicalCompound:standardIn...	IBBLRJGOOANPTQ-JKVLGAQCSA-N
chemicalCompound:canonicalS...	Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O
chemicalCompound:molecularF...	C25H31ClN2O5
chemicalCompound:moleculeId	674962
chemicalCompound:mwFreebase	438.516
chemicalCompound:alogp	0.656
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	95.94
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.388
chemicalCompound:acdLogP	4.788
chemicalCompound:acdLogD	1.235
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	474.977
chemicalCompound:acdMostBpk...	5.308
chemicalCompound:chemblId	CHEMBL1201011
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774962
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	QUINAPRIL HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:8714
chemicalCompound:firstAppro...	1991