345095

Source:http://linkedlifedata.com/resource/chembl/compound/345095

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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/C19H16N6O/c1-26-15-4-2-3-14(9-15)16-11-21-18-17(16)22-12-23-19(18)25-24-10-13-5-7-20-8-6-13/h2-12,21H,1H3,(H,22,23,25)/b24-10+
chemicalCompound:standardIn...	YMOZGQKWFWKZJV-YSURURNPSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)c2c[nH]c3c(N\N=C\c4ccncc4)ncnc23
chemicalCompound:molecularF...	C19H16N6O
chemicalCompound:moleculeId	345095
chemicalCompound:mwFreebase	344.37
chemicalCompound:alogp	3.282
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	88.08
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.996
chemicalCompound:acdLogP	3.903
chemicalCompound:acdLogD	3.882
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	344.37
chemicalCompound:acdMostBpk...	3.234
chemicalCompound:chemblId	CHEMBL206010
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:445095
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:1707118, activity:8097622, activity:8097623, activity:8097624, activity:8097625, activity:8097626, activity:8097627, activity:8097628, activity:8097629, activity:8097630, activity:8097631, activity:8097632, activity:8097633, activity:8097634, activity:8097635, activity:8097636, activity:8097637, activity:8097638, activity:8097639, activity:8097640, activity:8097641, activity:8097642, activity:8097643, activity:8097644, activity:8097645, activity:8097646, activity:8097647, activity:8097648, activity:8097649, activity:8097650, activity:8097651, activity:8097652, activity:8097653, activity:8097654, activity:8097655, activity:8097656, activity:8097657, activity:8097658, activity:8097659, activity:8097660, activity:8097661, activity:8097662, activity:8097663, activity:8097664, activity:8097665, activity:8097666, activity:8097667, activity:8097668, activity:8097669, activity:8097670, activity:8097671, activity:8097672, activity:8097673, activity:8097674, activity:8097675, activity:8097676, activity:8097677, activity:8097678, activity:8101784, activity:8101785, activity:8101786, activity:8101787, activity:8101788, activity:8101789, activity:8101790, activity:8101791