134997

Source:http://linkedlifedata.com/resource/chembl/compound/134997

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/C17H16F3NO4S/c1-21(8-13(22)23)16(26)14-9-4-7-12(25-3)15(17(18,19)20)10(9)5-6-11(14)24-2/h4-7H,8H2,1-3H3,(H,22,23)
chemicalCompound:standardIn...	RBFQDUNKPQVART-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2c(c(OC)ccc2c1C(=S)N(C)CC(=O)O)C(F)(F)F
chemicalCompound:molecularF...	C17 H16 F3 N O4 S
chemicalCompound:moleculeId	134997
chemicalCompound:mwFreebase	387.373
chemicalCompound:alogp	3.967
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	91.09
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.453
chemicalCompound:acdLogP	3.662
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	387.373
chemicalCompound:acdMostBpk...	0.406
chemicalCompound:chemblId	CHEMBL85458
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:234997
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:1080460, activity:1080461, activity:1080462, activity:1080463