425187

Source:http://linkedlifedata.com/resource/chembl/compound/425187

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15-16H,1-2H3/b12-7+,15-14?
chemicalCompound:standardIn...	AZGOVLGMSGAOMP-FZYUQVBKSA-N
chemicalCompound:canonicalS...	CN1C(=N)N(C)\C(=C\c2c[nH]c3ccccc23)\C1=O
chemicalCompound:molecularF...	C14H14N4O
chemicalCompound:moleculeId	425187
chemicalCompound:mwFreebase	254.287
chemicalCompound:alogp	1.496
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	63.19
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.053
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	254.287
chemicalCompound:acdMostBpk...	5.995
chemicalCompound:chemblId	CHEMBL404232
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:525187
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	APLYSINOPSIN
chemicalCompound:activity	activity:2152568, activity:2326009, activity:2433275, activity:2433278, activity:3367978, activity:3368012, activity:3368392, activity:3368403, activity:3368422, activity:3368441