1249182

Source:http://linkedlifedata.com/resource/chembl/compound/1249182

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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:14894
chemicalCompound:standardIn...	InChI=1S/C22H19N3O2.ClH/c1-26-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)27-14-16-5-3-2-4-6-16;/h2-13,15H,14H2,1H3,(H,23,24,25);1H
chemicalCompound:standardIn...	MLKBEZWZIXORGM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
chemicalCompound:molecularF...	C22H20ClN3O2
chemicalCompound:moleculeId	1249182
chemicalCompound:mwFreebase	357.405
chemicalCompound:alogp	5.028
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	56.27
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.542
chemicalCompound:acdLogD	4.535
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	393.866
chemicalCompound:acdMostBpk...	5.407
chemicalCompound:chemblId	CHEMBL1909411
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1349182
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:8080612, activity:8080613, activity:8080614, activity:8080615, activity:8080616, activity:8080617, activity:8080618, activity:8080619, activity:8080620, activity:8080621, activity:8080622, activity:8080623, activity:8080624, activity:8080625, activity:8080626, activity:8080627, activity:8080628, activity:8080629, activity:8080630, activity:8080631, activity:8080632, activity:8080633, activity:8080634, activity:8080635, activity:8080636, activity:8080637, activity:8080638, activity:8080639, activity:8080640, activity:8080641, activity:8080642, activity:8080643, activity:8080644, activity:8080645, activity:8080646, activity:8080647, activity:8080648, activity:8080649, activity:8080650, activity:8080651, activity:8080652, activity:8080653, activity:8080654, activity:8080655, activity:8080656, activity:8080657, activity:8080658, activity:8080659, activity:8080660, activity:8080661, activity:8080662, activity:8080663, activity:8080664, activity:8080665, activity:8080666, activity:8080667, activity:8080668, activity:8080669, activity:8080670, activity:8080671, activity:8080672, activity:8080673, activity:8080674, activity:8080675, activity:8080676, activity:8080677