207952

Source:http://linkedlifedata.com/resource/chembl/compound/207952

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:658171
chemicalCompound:standardIn...	InChI=1S/C11H12N4.C4H4O4/c1-12-7-14-10-4-2-3-9(5-10)11-6-13-8-15-11;5-3(6)1-2-4(7)8/h2-8H,1H3,(H,12,14)(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1+
chemicalCompound:standardIn...	ACNBLMCBZREUQE-WLHGVMLRSA-N
chemicalCompound:canonicalS...	C\N=C\Nc1cccc(c1)c2c[nH]cn2.OC(=O)\C=C\C(=O)O
chemicalCompound:molecularF...	C11 H12 N4 . C4 H4 O4
chemicalCompound:moleculeId	207952
chemicalCompound:mwFreebase	200.24
chemicalCompound:alogp	0.966
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	53.07
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.702
chemicalCompound:acdLogP	1.212
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	316.312
chemicalCompound:acdMostBpk...	8.654
chemicalCompound:chemblId	CHEMBL339780
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:307952
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:984711