187515

Source:http://linkedlifedata.com/resource/chembl/compound/187515

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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:187515_Pinacidil_FDA_ALTERNATIVE_NAME, synonym:187515_Pinacidil_INN, synonym:187515_Pinacidil_USAN
chemicalCompound:standardIn...	InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)
chemicalCompound:standardIn...	IVVNZDGDKPTYHK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(N\C(=N\C#N)\Nc1ccncc1)C(C)(C)C
chemicalCompound:molecularF...	C13H19N5
chemicalCompound:moleculeId	187515
chemicalCompound:mwFreebase	245.323
chemicalCompound:alogp	1.831
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	73.09
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.206
chemicalCompound:acdLogD	2.203
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	245.323
chemicalCompound:acdMostBpk...	5.299
chemicalCompound:chemblId	CHEMBL1159
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:287515
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	PINACIDIL
chemicalCompound:firstAppro...	1989
chemicalCompound:activity	activity:93776, activity:93777, activity:93778, activity:93779, activity:111973, activity:121598, activity:121599, activity:186414, activity:186415, activity:201919, activity:201920, activity:207834, activity:207835, activity:207836, activity:207837, activity:209511, activity:209512, activity:209513, activity:209514, activity:220820, activity:220821, activity:326406, activity:477852, activity:477853, activity:477854, activity:477855, activity:477856, activity:477857, activity:477858, activity:478143, activity:478144, activity:478145, activity:478146, activity:496387, activity:496388, activity:527897, activity:527898, activity:527899, activity:527900, activity:527901, activity:580656, activity:736296, activity:736297, activity:736298, activity:736299, activity:736300, activity:736301, activity:736302, activity:736303, activity:736304, activity:736305, activity:758083, activity:758084, activity:803003, activity:837641, activity:837642, activity:837643, activity:837644, activity:837645, activity:837646, activity:837647, activity:837648