607046

Source:http://linkedlifedata.com/resource/chembl/compound/607046

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/C10H11F3N2O6/c11-3-1-15(10(19)14-7(3)21-9(12)13)8-6(18)5(17)4(2-16)20-8/h1,4-6,8-9,16-18H,2H2/t4-,5-,6-,8?/m1/s1
chemicalCompound:standardIn...	DBFGLJIXTFIGEZ-CDRSNLLMSA-N
chemicalCompound:canonicalS...	OC[C@H]1OC([C@H](O)[C@@H]1O)N2C=C(F)C(=NC2=O)OC(F)F
chemicalCompound:molecularF...	C10H11F3N2O6
chemicalCompound:moleculeId	607046
chemicalCompound:mwFreebase	312.199
chemicalCompound:alogp	-0.811
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	111.82
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.476
chemicalCompound:acdLogP	-0.861
chemicalCompound:acdLogD	-0.861
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	312.199
chemicalCompound:chemblId	CHEMBL608644
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:707046
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:175040, activity:175041, activity:175042, activity:181347, activity:181348, activity:181349