20131

Source:http://linkedlifedata.com/resource/chembl/compound/20131

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:20131_Phentolamine_FDA_ALTERNATIVE_NAME, synonym:20131_Regitine_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
chemicalCompound:standardIn...	MRBDMNSDAVCSSF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3
chemicalCompound:molecularF...	C17H19N3O
chemicalCompound:moleculeId	20131
chemicalCompound:mwFreebase	281.352
chemicalCompound:alogp	2.969
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	47.86
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.516
chemicalCompound:acdLogP	4.078
chemicalCompound:acdLogD	2.13
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	281.352
chemicalCompound:acdMostBpk...	10.313
chemicalCompound:chemblId	CHEMBL597
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:120131
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	PHENTOLAMINE
chemicalCompound:activity	activity:50293, activity:50294, activity:50295, activity:50296, activity:50297, activity:50298, activity:50299, activity:50300, activity:50301, activity:50302, activity:50303, activity:50304, activity:50305, activity:50306, activity:55260, activity:64334, activity:64335, activity:64336, activity:64337, activity:64338, activity:64339, activity:64340, activity:64341, activity:64342, activity:64343, activity:64344, activity:64345, activity:64346, activity:64347, activity:64348, activity:64349, activity:64350, activity:64351, activity:64352, activity:64353, activity:67056, activity:131617, activity:131618, activity:131619, activity:131620, activity:131621, activity:131622, activity:131623, activity:131624, activity:131625, activity:131626, activity:131627, activity:131628, activity:164141, activity:164142, activity:164143, activity:164144, activity:164145, activity:164146, activity:164147, activity:164148, activity:164149, activity:187884, activity:276105, activity:276106, activity:282497, activity:307150, activity:307151