174863

Source:http://linkedlifedata.com/resource/chembl/compound/174863

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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/C26H27FN4O6/c1-17(32)28-14-20-15-31(26(34)37-20)19-4-5-22(21(27)13-19)29-8-10-30(11-9-29)25(33)7-3-18-2-6-23-24(12-18)36-16-35-23/h2-7,12-13,20H,8-11,14-16H2,1H3,(H,28,32)/b7-3+/t20-/m0/s1
chemicalCompound:standardIn...	RXTYBIDTJSLCNN-BEGIUABZSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)\C=C\c4ccc5OCOc5c4)c(F)c2
chemicalCompound:molecularF...	C26 H27 F N4 O6
chemicalCompound:moleculeId	174863
chemicalCompound:mwFreebase	510.514
chemicalCompound:alogp	2.324
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	100.65
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.251
chemicalCompound:acdLogD	2.251
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	510.514
chemicalCompound:acdMostBpk...	1.735
chemicalCompound:chemblId	CHEMBL107440
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:274863
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:1290759, activity:1290760, activity:1290761, activity:1290762, activity:1290763, activity:1290764, activity:1290765, activity:1290766, activity:1290767, activity:1290768, activity:1290769