56706

Source:http://linkedlifedata.com/resource/chembl/compound/56706

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)/t17-,20-/m0/s1
chemicalCompound:standardIn...	NQIHMZLGCZNZBN-PXNSSMCTSA-N
chemicalCompound:canonicalS...	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O
chemicalCompound:molecularF...	C22 H22 N4 O3
chemicalCompound:moleculeId	56706
chemicalCompound:mwFreebase	390.435
chemicalCompound:alogp	0.082
chemicalCompound:hba	4
chemicalCompound:hbd	5
chemicalCompound:psa	124
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.147
chemicalCompound:acdLogP	1.481
chemicalCompound:acdLogD	-1.206
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	390.435
chemicalCompound:acdMostBpk...	7.601
chemicalCompound:chemblId	CHEMBL286852
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:156706
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:76058, activity:244773, activity:244774, activity:446646, activity:1160034, activity:1722239, activity:1722319, activity:1722398, activity:6307818, activity:6320163