623489

Source:http://linkedlifedata.com/resource/chembl/compound/623489

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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/C27H26F3N5O/c1-33-24-12-9-20(27(28,29)30)17-23(24)32-26(33)19-7-10-21(11-8-19)31-25(36)18-34-13-15-35(16-14-34)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,31,36)
chemicalCompound:standardIn...	CTMSSCNAWRKZJY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1c(nc2cc(ccc12)C(F)(F)F)c3ccc(NC(=O)CN4CCN(CC4)c5ccccc5)cc3
chemicalCompound:molecularF...	C27H26F3N5O
chemicalCompound:moleculeId	623489
chemicalCompound:mwFreebase	493.523
chemicalCompound:alogp	5.174
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	53.4
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.511
chemicalCompound:acdLogD	3.495
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	493.523
chemicalCompound:acdMostBpk...	5.732
chemicalCompound:chemblId	CHEMBL1093875
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:723489
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:3237047, activity:3237128, activity:3237209, activity:3238021, activity:3238102, activity:3238183, activity:3238264, activity:3263067, activity:3263147, activity:3263337, activity:3263338, activity:3263382, activity:3263383, activity:3263384