573481

Source:http://linkedlifedata.com/resource/chembl/compound/573481

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/C14H15NO2S/c1-3-17-14(16)11-9(2)12(18-13(11)15)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3
chemicalCompound:standardIn...	FXPVOLWQNNGFHA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1c(C)c(sc1N)c2ccccc2
chemicalCompound:molecularF...	C14H15NO2S
chemicalCompound:moleculeId	573481
chemicalCompound:mwFreebase	261.339
chemicalCompound:alogp	3.37
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	80.56
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.306
chemicalCompound:acdLogD	4.306
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	261.339
chemicalCompound:chemblId	CHEMBL566136
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:673481
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:2933190, activity:2933203, activity:2934156, activity:2934157, activity:2934165, activity:2934170, activity:3815744, activity:3958527, activity:4048232, activity:4162538, activity:4383228, activity:4523348, activity:4784396, activity:4891206, activity:4914419, activity:4944737, activity:5364542, activity:5552524, activity:5675590, activity:5744774, activity:5940688, activity:6792343, activity:7057970, activity:7090905, activity:7387577