454141

Source:http://linkedlifedata.com/resource/chembl/compound/454141

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:454141_Accupril_TRADE_NAME, synonym:454141_Quinapril_FDA_ALTERNATIVE_NAME
chemicalCompound:standardIn...	InChI=1S/C25H30N2O5/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)/t17-,21-,22-/m0/s1
chemicalCompound:standardIn...	JSDRRTOADPPCHY-HSQYWUDLSA-N
chemicalCompound:canonicalS...	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O
chemicalCompound:molecularF...	C25H30N2O5
chemicalCompound:moleculeId	454141
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	438.516
chemicalCompound:acdMostBpk...	5.308
chemicalCompound:chemblId	CHEMBL1592
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:554141
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
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:8713
chemicalCompound:firstAppro...	1991
chemicalCompound:activity	activity:320805, activity:652524, activity:2589814, activity:2589818, activity:3134524, activity:3134564, activity:5316453, activity:5316750, activity:5317781, activity:5318732, activity:5319683, activity:5321989, activity:5321990, activity:5321991, activity:5321992, activity:5321993, activity:5321994, activity:5321995, activity:5321996, activity:5321997, activity:5321998, activity:5321999, activity:5322000, activity:5322001, activity:5322002, activity:5322003, activity:5322004, activity:5322005, activity:5322006, activity:5329114, activity:7714008, activity:7714009, activity:7714010, activity:7714011, activity:7714012, activity:7714013, activity:7714014, activity:7714015, activity:7714016, activity:7714017, activity:7714018, activity:7714019, activity:7714020, activity:7714021, activity:7714022, activity:7714023, activity:7714024, activity:7714025, activity:7714026, activity:7714027, activity:7714028, activity:7714029, activity:7714030, activity:7714031, activity:7714032, activity:7714033, activity:7714034, activity:7714035, activity:7714036, activity:7714037, activity:7714038