824109

Source:http://linkedlifedata.com/resource/chembl/compound/824109

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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/C27H23N5O2/c1-29-26(33)22(17-28)16-23-25(30-24-14-8-9-15-32(24)27(23)34)31(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-16H,18-19H2,1H3,(H,29,33)/b22-16+
chemicalCompound:standardIn...	LYMGYWLJIICTTO-CJLVFECKSA-N
chemicalCompound:canonicalS...	CNC(=O)\C(=C\C1=C(N=C2C=CC=CN2C1=O)N(Cc3ccccc3)Cc4ccccc4)\C#N
chemicalCompound:molecularF...	C27H23N5O2
chemicalCompound:moleculeId	824109
chemicalCompound:mwFreebase	449.504
chemicalCompound:alogp	3.151
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	88.8
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.175
chemicalCompound:acdLogP	7.167
chemicalCompound:acdLogD	7.167
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	449.504
chemicalCompound:acdMostBpk...	0.447
chemicalCompound:chemblId	CHEMBL1400225
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:924109
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:3703958, activity:3757683, activity:4036910, activity:4142503, activity:4327055, activity:4820867, activity:4944464, activity:5365582, activity:5407363, activity:5479884, activity:5835280, activity:5941716, activity:6469281, activity:6488417, activity:7164559, activity:7197382, activity:7309978, activity:7353419, activity:7449916, activity:7528283, activity:8367728, activity:9355767, activity:9701112, activity:10660015