501099

Source:http://linkedlifedata.com/resource/chembl/compound/501099

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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/C25H17F3N4O4/c1-32-21-20(11-12-29-22(21)31-24(32)34)35-19-10-9-18(16-7-2-3-8-17(16)19)30-23(33)14-5-4-6-15(13-14)36-25(26,27)28/h2-13H,1H3,(H,30,33)(H,29,31,34)
chemicalCompound:standardIn...	YDLSDVFJILYSBC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)Nc2nccc(Oc3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)c5ccccc35)c12
chemicalCompound:molecularF...	C25H17F3N4O4
chemicalCompound:moleculeId	501099
chemicalCompound:mwFreebase	494.422
chemicalCompound:alogp	5.66
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	92.79
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.655
chemicalCompound:acdLogP	5.066
chemicalCompound:acdLogD	5.062
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	494.422
chemicalCompound:acdMostBpk...	5.3
chemicalCompound:chemblId	CHEMBL496410
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:601099
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:2635146, activity:2635165, activity:2635173