57737

Source:http://linkedlifedata.com/resource/chembl/compound/57737

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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:57737_NSC-240898_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C22H19N5O/c23-21(24)14-5-9-18(10-6-14)28-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)27-19/h1-12,27H,(H3,23,24)(H3,25,26)
chemicalCompound:standardIn...	OSSYTOVYXCAWPG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)c1ccc(Oc2ccc(cc2)c3cc4ccc(cc4[nH]3)C(=N)N)cc1
chemicalCompound:molecularF...	C22H19N5O
chemicalCompound:moleculeId	57737
chemicalCompound:mwFreebase	369.419
chemicalCompound:alogp	3.607
chemicalCompound:hba	3
chemicalCompound:hbd	5
chemicalCompound:psa	124.76
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.448
chemicalCompound:acdLogD	0.448
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	369.419
chemicalCompound:acdMostBpk...	12.262
chemicalCompound:chemblId	CHEMBL289577
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:157737
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:759182, activity:759183, activity:759184, activity:759185, activity:759186, activity:867841, activity:3023199, activity:3023200, activity:5312217, activity:5312281, activity:7991560