716544

Source:http://linkedlifedata.com/resource/chembl/compound/716544

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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:75167
chemicalCompound:synonym	synonym:716544_NSC-322921_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C25H24N6O.ClH/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16;/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29);1H
chemicalCompound:standardIn...	UDJDXLXTHZQAAC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(O)cc6
chemicalCompound:molecularF...	C25H25ClN6O
chemicalCompound:moleculeId	716544
chemicalCompound:mwFreebase	424.498
chemicalCompound:alogp	4.588
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	84.07
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.229
chemicalCompound:acdLogP	1.251
chemicalCompound:acdLogD	0.721
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	460.959
chemicalCompound:acdMostBpk...	7.719
chemicalCompound:chemblId	CHEMBL1290131
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:816544
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:3594216, activity:6355394, activity:6355396, activity:6355398, activity:6355400, activity:6355402, activity:6355411, activity:6355454, activity:6355469, activity:8031332, activity:8031372, activity:8258094, activity:8263895, activity:8313471, activity:8324080, activity:8418539, activity:8478377, activity:8502842, activity:8516240, activity:8563377, activity:8585655, activity:8597191, activity:8665010, activity:8667085, activity:8777702, activity:8789154, activity:8805684, activity:8866593, activity:8913110, activity:8942983, activity:8980828, activity:9047360, activity:9075856, activity:9081641, activity:9106861, activity:9148627, activity:9182023, activity:9198047, activity:9228685, activity:9235532, activity:9295385, activity:9332418, activity:9369112, activity:9371725, activity:9448764, activity:9451242, activity:9522365, activity:9529994, activity:9643716, activity:9692267, activity:9725997, activity:9768085, activity:9796763, activity:9877035, activity:9906068, activity:9944103, activity:9983936, activity:10042617, activity:10043055, activity:10053140, activity:10090182, activity:10153451, activity:10177518, activity:10193623