396480

Source:http://linkedlifedata.com/resource/chembl/compound/396480

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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/C24H22F3N3O4/c25-24(26,27)21-12-16(17-3-1-2-4-19(17)28-21)11-14-5-7-15(8-6-14)22(31)29-20-9-10-34-13-18(20)23(32)30-33/h1-8,12,18,20,33H,9-11,13H2,(H,29,31)(H,30,32)/t18-,20+/m0/s1
chemicalCompound:standardIn...	RGJDIXGJLGTWJM-AZUAARDMSA-N
chemicalCompound:canonicalS...	ONC(=O)[C@H]1COCC[C@H]1NC(=O)c2ccc(Cc3cc(nc4ccccc34)C(F)(F)F)cc2
chemicalCompound:molecularF...	C24 H22 F3 N3 O4
chemicalCompound:moleculeId	396480
chemicalCompound:mwFreebase	473.444
chemicalCompound:alogp	3.374
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	100.55
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.231
chemicalCompound:acdLogP	1.936
chemicalCompound:acdLogD	1.929
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	473.444
chemicalCompound:acdMostBpk...	0.614
chemicalCompound:chemblId	CHEMBL234224
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:496480
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:1965616, activity:1965644