78520

Source:http://linkedlifedata.com/resource/chembl/compound/78520

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:78520_CGP-60474_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)
chemicalCompound:standardIn...	IYNDTACKOAXKBJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCCCNc1cc(ccn1)c2ccnc(Nc3cccc(Cl)c3)n2
chemicalCompound:molecularF...	C18H18ClN5O
chemicalCompound:moleculeId	78520
chemicalCompound:mwFreebase	355.821
chemicalCompound:alogp	3.453
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	82.96
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.705
chemicalCompound:acdLogD	4.704
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	355.821
chemicalCompound:acdMostBpk...	4.434
chemicalCompound:chemblId	CHEMBL300389
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:178520
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:1142621, activity:1142622, activity:1400107, activity:3023377, activity:3026721, activity:3028396, activity:3044524, activity:3656936, activity:3700285, activity:3739783, activity:3820474, activity:3836818, activity:3910566, activity:3943278, activity:4013458, activity:4070655, activity:4208299, activity:4291698, activity:4337042, activity:4393660, activity:4437119, activity:4584015, activity:4701293, activity:4748134, activity:4805649, activity:4905848, activity:4957803, activity:5000708, activity:5007091, activity:5439594, activity:5502477, activity:5514484, activity:5545636, activity:5604084, activity:5665435, activity:5802111, activity:5862891, activity:5888828, activity:5961463, activity:6432212, activity:6458944, activity:6541502, activity:6726011, activity:6781954, activity:6999824, activity:7020613, activity:7022807, activity:7181171, activity:7312825, activity:7315410, activity:7410946, activity:10315371, activity:10616726