849382

Source:http://linkedlifedata.com/resource/chembl/compound/849382

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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/C20H20N2O6S/c1-4-27-20(24)18-17(15-7-5-6-8-16(15)28-18)21-19(23)13-9-11-14(12-10-13)29(25,26)22(2)3/h5-12H,4H2,1-3H3,(H,21,23)
chemicalCompound:standardIn...	HJTRMEGUGUEQFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1oc2ccccc2c1NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C
chemicalCompound:molecularF...	C20H20N2O6S
chemicalCompound:moleculeId	849382
chemicalCompound:mwFreebase	416.448
chemicalCompound:alogp	2.53
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	114.3
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.804
chemicalCompound:acdLogP	3.691
chemicalCompound:acdLogD	3.691
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	416.448
chemicalCompound:chemblId	CHEMBL1425498
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:949382
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:3691919, activity:3717407, activity:3914010, activity:4079725, activity:4469654, activity:4504780, activity:4588808, activity:4833520, activity:6002976, activity:6004725, activity:6015159, activity:6037649, activity:6070136, activity:6588752, activity:7180272