358691

Source:http://linkedlifedata.com/resource/chembl/compound/358691

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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/C22H20N2O5S/c1-3-29-22(26)20-18-8-6-14-23(18)30(27,28)19-9-5-4-7-17(19)24(20)21(25)16-12-10-15(2)11-13-16/h4-14,20H,3H2,1-2H3/t20-/m1/s1
chemicalCompound:standardIn...	BTBIXHNANZJJGR-HXUWFJFHSA-N
chemicalCompound:canonicalS...	CCOC(=O)[C@@H]1N(C(=O)c2ccc(C)cc2)c3ccccc3S(=O)(=O)n4cccc14
chemicalCompound:molecularF...	C22 H20 N2 O5 S
chemicalCompound:moleculeId	358691
chemicalCompound:mwFreebase	424.47
chemicalCompound:alogp	3.993
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	94.06
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.226
chemicalCompound:acdLogD	4.226
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.47
chemicalCompound:chemblId	CHEMBL212229
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:458691
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:1766534, activity:1766557, activity:1766626, activity:1766646