1249174

Source:http://linkedlifedata.com/resource/chembl/compound/1249174

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1281227
chemicalCompound:standardIn...	InChI=1S/C21H17F4N5O.C4H4O4/c22-15-5-2-13(3-6-15)19-18(16-8-10-27-20(28-16)26-9-1-11-31)17-7-4-14(21(23,24)25)12-30(17)29-19;5-3(6)1-2-4(7)8/h2-8,10,12,31H,1,9,11H2,(H,26,27,28);1-2H,(H,5,6)(H,7,8)/b;2-1+
chemicalCompound:standardIn...	NIYPUFWRJTYAKU-WLHGVMLRSA-N
chemicalCompound:canonicalS...	OCCCNc1nccc(n1)c2c(nn3cc(ccc23)C(F)(F)F)c4ccc(F)cc4.OC(=O)\C=C\C(=O)O
chemicalCompound:molecularF...	C25H21F4N5O5
chemicalCompound:moleculeId	1249174
chemicalCompound:mwFreebase	431.386
chemicalCompound:alogp	4.173
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	75.34
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.589
chemicalCompound:acdLogD	2.589
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	547.458
chemicalCompound:acdMostBpk...	2.645
chemicalCompound:chemblId	CHEMBL1909403
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1349174
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:8093198, activity:8093199, activity:8093200, activity:8093201, activity:8093202, activity:8093203, activity:8093204, activity:8093205, activity:8093206, activity:8093207, activity:8093208, activity:8093209, activity:8093210, activity:8093211, activity:8093212, activity:8093213, activity:8093214, activity:8093215, activity:8093216, activity:8093217, activity:8093218, activity:8093219, activity:8093220, activity:8093221, activity:8093222, activity:8093223, activity:8093224, activity:8093225, activity:8093226, activity:8093227, activity:8093228, activity:8093229, activity:8093230, activity:8093231, activity:8093232, activity:8093233, activity:8093234, activity:8093235, activity:8093236, activity:8093237, activity:8093238, activity:8093239, activity:8093240, activity:8093241, activity:8093242, activity:8093243, activity:8093244, activity:8093245, activity:8093246, activity:8093247, activity:8093248, activity:8093249, activity:8093250, activity:8093251, activity:8093252, activity:8093253, activity:8093254, activity:8093255, activity:8093256, activity:8093257, activity:8093258, activity:8093259, activity:8093260, activity:8093261, activity:8093262, activity:8093263