219023

Source:http://linkedlifedata.com/resource/chembl/compound/219023

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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/C13H11F3N2OS/c14-13(15,16)8-1-2-9-10(5-8)20-11(12(9)19)6-18-4-3-17-7-18/h1-5,7,11-12,19H,6H2/t11-,12-/m1/s1
chemicalCompound:standardIn...	RBWWIHJXNGRCQX-VXGBXAGGSA-N
chemicalCompound:canonicalS...	O[C@H]1[C@@H](Cn2ccnc2)Sc3cc(ccc13)C(F)(F)F
chemicalCompound:molecularF...	C13 H11 F3 N2 O S
chemicalCompound:moleculeId	219023
chemicalCompound:mwFreebase	300.299
chemicalCompound:alogp	2.327
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.35
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.435
chemicalCompound:acdLogP	3.015
chemicalCompound:acdLogD	2.927
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	300.299
chemicalCompound:acdMostBpk...	6.717
chemicalCompound:chemblId	CHEMBL423334
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:319023
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:645800