674782

Source:http://linkedlifedata.com/resource/chembl/compound/674782

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:1967
chemicalCompound:synonym	synonym:674782_SCH-33844_RESEARCH_CODE, synonym:674782_Spirapril Hydrochloride_USAN, synonym:674782_Spirapril_BAN, synonym:674782_Spirapril_INN
chemicalCompound:standardIn...	InChI=1S/C22H30N2O5S2.ClH/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27;/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27);1H/t15-,17-,18-;/m0./s1
chemicalCompound:standardIn...	CLDOLNORSLLQDI-OOAIBONUSA-N
chemicalCompound:canonicalS...	Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)O)SCCS3
chemicalCompound:molecularF...	C22H31ClN2O5S2
chemicalCompound:moleculeId	674782
chemicalCompound:mwFreebase	466.614
chemicalCompound:alogp	0.297
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	146.53
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.986
chemicalCompound:acdLogP	5.876
chemicalCompound:acdLogD	2.238
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	503.075
chemicalCompound:acdMostBpk...	5.285
chemicalCompound:chemblId	CHEMBL1200831
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774782
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	SPIRAPRIL HYDROCHLORIDE
chemicalCompound:firstAppro...	1994