1249149

Source:http://linkedlifedata.com/resource/chembl/compound/1249149

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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:273
chemicalCompound:standardIn...	InChI=1S/C22H16N4O3.ClH/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17;/h1-11H,12H2,(H2,23,27)(H,25,26);1H
chemicalCompound:standardIn...	DUZCSXXJVYCEKF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NC(=O)c1ccc(cc1)c2nc(c3ccccn3)c([nH]2)c4ccc5OCOc5c4
chemicalCompound:molecularF...	C22H17ClN4O3
chemicalCompound:moleculeId	1249149
chemicalCompound:mwFreebase	384.387
chemicalCompound:alogp	3.447
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	103.12
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.144
chemicalCompound:acdLogP	2.368
chemicalCompound:acdLogD	2.368
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	420.848
chemicalCompound:acdMostBpk...	2.237
chemicalCompound:chemblId	CHEMBL1909378
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1349149
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:8063596, activity:8063597, activity:8063598, activity:8063599, activity:8063600, activity:8063601, activity:8063602, activity:8063603, activity:8063604, activity:8063605, activity:8063606, activity:8063607, activity:8063608, activity:8063609, activity:8063610, activity:8063611, activity:8063612, activity:8063613, activity:8063614, activity:8063615, activity:8063616, activity:8063617, activity:8063618, activity:8063619, activity:8063620, activity:8063621, activity:8063622, activity:8063623, activity:8063624, activity:8063625, activity:8063626, activity:8063627, activity:8063628, activity:8063629, activity:8063630, activity:8063631, activity:8063632, activity:8063633, activity:8063634, activity:8063635, activity:8063636, activity:8063637, activity:8063638, activity:8063639, activity:8063640, activity:8063641, activity:8063642, activity:8063643, activity:8063644, activity:8063645, activity:8063646, activity:8063647, activity:8063648, activity:8063649, activity:8063650, activity:8063651, activity:8063652, activity:8063653, activity:8063654, activity:8063655, activity:8063656, activity:8063657, activity:8063658, activity:8063659, activity:8063660