62720

Source:http://linkedlifedata.com/resource/chembl/compound/62720

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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:62720_SB-206553_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
chemicalCompound:standardIn...	QJQORSLQNXDVGE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1ccc2cc3N(CCc3cc12)C(=O)Nc4cccnc4
chemicalCompound:molecularF...	C17 H16 N4 O
chemicalCompound:moleculeId	62720
chemicalCompound:mwFreebase	292.335
chemicalCompound:alogp	2.152
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	50.16
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.497
chemicalCompound:acdLogP	2.84
chemicalCompound:acdLogD	2.839
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	292.335
chemicalCompound:acdMostBpk...	4.915
chemicalCompound:chemblId	CHEMBL297784
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:162720
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:260929, activity:260930, activity:260931, activity:260932, activity:260933, activity:260934, activity:260935, activity:260936, activity:260937, activity:260938, activity:260939, activity:530923, activity:530924, activity:530925, activity:530926, activity:530927, activity:530928, activity:530929, activity:530930, activity:530931, activity:530932, activity:530933, activity:530934, activity:530935, activity:530936, activity:778178, activity:778179, activity:778180, activity:778181, activity:880667, activity:880668, activity:880669, activity:880670, activity:880671, activity:952897, activity:952898, activity:952899, activity:952900, activity:952901, activity:3218620, activity:3555295, activity:3617848, activity:3692438, activity:3701066, activity:3740584, activity:3809030, activity:3849729, activity:3954865, activity:3961459, activity:4066356, activity:4129697, activity:4388170, activity:4408845, activity:4518733, activity:4521544, activity:4583833, activity:4749000, activity:4805539, activity:4853776, activity:4854749, activity:4866860, activity:4870320, activity:4872374, activity:4873857, activity:4965715