448213

Source:http://linkedlifedata.com/resource/chembl/compound/448213

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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/C22H19N5O/c1-14-3-2-4-17(13-14)27-22(28)26-16-7-5-15(6-8-16)18-9-10-19-21(20(18)23)25-12-11-24-19/h2-13H,23H2,1H3,(H2,26,27,28)
chemicalCompound:standardIn...	FJZXDUKUMALHNP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(NC(=O)Nc2ccc(cc2)c3ccc4nccnc4c3N)c1
chemicalCompound:molecularF...	C22H19N5O
chemicalCompound:moleculeId	448213
chemicalCompound:mwFreebase	369.419
chemicalCompound:alogp	3.245
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	92.93
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.312
chemicalCompound:acdLogD	3.312
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	369.419
chemicalCompound:acdMostBpk...	2.358
chemicalCompound:chemblId	CHEMBL507936
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:548213
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:2453489, activity:9519395, activity:9519471, activity:9519993, activity:9520208, activity:9520472, activity:9532571, activity:9532806, activity:9544791, activity:9545360, activity:9557659, activity:9557801, activity:9560823, activity:9561033, activity:9565704, activity:9572146, activity:9573435, activity:9574785, activity:9574874, activity:9575145, activity:9577125, activity:9578179, activity:9578364, activity:9580326, activity:9581659, activity:9582696, activity:9583093, activity:9583651, activity:9584514, activity:9584886, activity:9586648, activity:9587710, activity:9589241, activity:9593404, activity:9594433, activity:9595207, activity:9595560, activity:9596009, activity:9597656, activity:9597731, activity:9599912, activity:9602356, activity:9604810, activity:9606334, activity:9606535, activity:9607182, activity:9607587, activity:9608561, activity:9609603, activity:9612984, activity:9614276, activity:9617087, activity:9618454, activity:9618997, activity:9625298, activity:9625748, activity:9627390, activity:9627630, activity:9628700, activity:9629253, activity:9635429, activity:9648415, activity:9652367, activity:9653064, activity:9653514, activity:9661199, activity:9661329