1159797

Source:http://linkedlifedata.com/resource/chembl/compound/1159797

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C25H17F6N3O2/c1-13-9-17(36-21-7-8-33-22-18(21)3-2-4-19(22)32)5-6-20(13)34-23(35)14-10-15(24(26,27)28)12-16(11-14)25(29,30)31/h2-12H,32H2,1H3,(H,34,35)
chemicalCompound:standardIn...	PDTHDBFWOTYSLN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(Oc2ccnc3c(N)cccc23)ccc1NC(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
chemicalCompound:molecularF...	C25H17F6N3O2
chemicalCompound:moleculeId	1159797
chemicalCompound:mwFreebase	505.412
chemicalCompound:alogp	5.985
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	77.23
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.824
chemicalCompound:acdLogP	5.919
chemicalCompound:acdLogD	5.917
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	505.412
chemicalCompound:acdMostBpk...	4.682
chemicalCompound:chemblId	CHEMBL1796745
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1259797
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:6255386