885055

Source:http://linkedlifedata.com/resource/chembl/compound/885055

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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/C23H20N4O2/c1-2-13-29-23(28)16-7-5-9-18(14-16)25-22-19-10-3-4-11-20(19)26-21(27-22)17-8-6-12-24-15-17/h3-12,14-15H,2,13H2,1H3,(H,25,26,27)
chemicalCompound:standardIn...	GROCSHUQOZDEOU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCOC(=O)c1cccc(Nc2nc(nc3ccccc23)c4cccnc4)c1
chemicalCompound:molecularF...	C23H20N4O2
chemicalCompound:moleculeId	885055
chemicalCompound:mwFreebase	384.43
chemicalCompound:alogp	4.037
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.411
chemicalCompound:acdLogD	5.407
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	384.43
chemicalCompound:acdMostBpk...	4.63
chemicalCompound:chemblId	CHEMBL1461171
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:985055
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:3648584, activity:3705570, activity:3755898, activity:3865127, activity:3948928, activity:4097997, activity:4106773, activity:4143378, activity:4224152, activity:4385928, activity:4399839, activity:4516622, activity:4563424, activity:4636425, activity:4721569, activity:4794453, activity:4904832, activity:5330462, activity:5437582, activity:5498159, activity:5511672, activity:5653018, activity:5681372, activity:5879296, activity:6633238, activity:6975479, activity:7129188, activity:7263387, activity:7368586, activity:7447346, activity:8265172, activity:9778277, activity:10422553