64874

Source:http://linkedlifedata.com/resource/chembl/compound/64874

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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/C29H28FN3O3/c1-20-18-33(28(34)32-26(20)31)27-25(30)17-24(36-27)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-25,27H,17,19H2,1H3,(H2,31,32,34)
chemicalCompound:standardIn...	HOYMCLBCVGEXOY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CN(C2OC(COC(c3ccccc3)(c4ccccc4)c5ccccc5)CC2F)C(=O)N=C1N
chemicalCompound:molecularF...	C29 H28 F N3 O3
chemicalCompound:moleculeId	64874
chemicalCompound:mwFreebase	485.549
chemicalCompound:alogp	4.607
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	77.15
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.155
chemicalCompound:acdLogD	4.154
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	485.549
chemicalCompound:acdMostBpk...	4.581
chemicalCompound:chemblId	CHEMBL42188
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:164874
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:202065, activity:202066, activity:202067