839883

Source:http://linkedlifedata.com/resource/chembl/compound/839883

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/C25H22N2O5S/c1-4-32-25(30)22-19(17-8-5-15(2)6-9-17)14-33-24(22)27-23(29)18(13-26)11-16-7-10-20(28)21(12-16)31-3/h5-12,14,28H,4H2,1-3H3,(H,27,29)/b18-11+
chemicalCompound:standardIn...	MBAIMMGUMAISCU-WOJGMQOQSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1c(NC(=O)\C(=C\c2ccc(O)c(OC)c2)\C#N)scc1c3ccc(C)cc3
chemicalCompound:molecularF...	C25H22N2O5S
chemicalCompound:moleculeId	839883
chemicalCompound:mwFreebase	462.518
chemicalCompound:alogp	4.658
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	136.89
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.169
chemicalCompound:acdLogP	5.196
chemicalCompound:acdLogD	5.188
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	462.518
chemicalCompound:chemblId	CHEMBL1415999
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:939883
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:3615477, activity:3967740, activity:4038024, activity:4253472, activity:4574631, activity:4595011, activity:4726079, activity:5426901, activity:5804703, activity:5893819, activity:5963710, activity:6460069, activity:6578156, activity:6741274, activity:6743206, activity:6849575, activity:7003967, activity:7191867, activity:7214853, activity:7261539, activity:7491196, activity:8348035, activity:9808079, activity:10577390