97

Source:http://linkedlifedata.com/resource/chembl/compound/97

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:97_CP-12299_RESEARCH_CODE, synonym:97_Minipress_OTHER, synonym:97_Minipress_TRADE_NAME, synonym:97_Minizide_OTHER, synonym:97_Prazosin_FDA_ALTERNATIVE_NAME, synonym:97_Prazosin_INN
chemicalCompound:standardIn...	InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
chemicalCompound:standardIn...	IENZQIKPVFGBNW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4
chemicalCompound:molecularF...	C19H21N5O4
chemicalCompound:moleculeId	97
chemicalCompound:mwFreebase	383.401
chemicalCompound:alogp	1.487
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	106.95
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.139
chemicalCompound:acdLogD	2.085
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.401
chemicalCompound:acdMostBpk...	6.524
chemicalCompound:chemblId	CHEMBL2
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100097
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	PRAZOSIN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:8364
chemicalCompound:activity	activity:33093, activity:33094, activity:33095, activity:34164, activity:34165, activity:40935, activity:56881, activity:58305, activity:58306, activity:106599, activity:140968, activity:160411, activity:160412, activity:160413, activity:160414, activity:160415, activity:160416, activity:160417, activity:160418, activity:173829, activity:173830, activity:173831, activity:173832, activity:173833, activity:173834, activity:173835, activity:192615, activity:248358, activity:248359, activity:248360, activity:284530, activity:284531, activity:284532, activity:284533, activity:284534, activity:284535, activity:309443, activity:309444, activity:313856, activity:313857, activity:313858, activity:313859, activity:313860, activity:313861, activity:313862, activity:314928, activity:314929, activity:323049, activity:323050, activity:323051, activity:323052, activity:323053, activity:323054, activity:323055, activity:323056, activity:323057, activity:323058, activity:323059, activity:323060