310445

Source:http://linkedlifedata.com/resource/chembl/compound/310445

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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/C25H26F3N3O2/c1-33-23-6-3-2-5-22(23)19-9-7-18(8-10-19)17-29-15-4-16-30-24(32)31-21-13-11-20(12-14-21)25(26,27)28/h2-3,5-14,29H,4,15-17H2,1H3,(H2,30,31,32)
chemicalCompound:standardIn...	LXGZVETZCRTLBR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1c2ccc(CNCCCNC(=O)Nc3ccc(cc3)C(F)(F)F)cc2
chemicalCompound:molecularF...	C25 H26 F3 N3 O2
chemicalCompound:moleculeId	310445
chemicalCompound:mwFreebase	457.488
chemicalCompound:alogp	4.639
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	62.39
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.603
chemicalCompound:acdLogP	4.813
chemicalCompound:acdLogD	3.123
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	457.488
chemicalCompound:acdMostBpk...	9.145
chemicalCompound:chemblId	CHEMBL186388
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410445
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:1456287