949546

Source:http://linkedlifedata.com/resource/chembl/compound/949546

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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/C24H23N3O5S/c1-2-31-16-10-8-15(9-11-16)27-22(29)21-18-6-3-7-19(18)33-23(21)26(24(27)30)14-20(28)25-13-17-5-4-12-32-17/h4-5,8-12H,2-3,6-7,13-14H2,1H3,(H,25,28)
chemicalCompound:standardIn...	GMNPNBXLNOPWCV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1ccc(cc1)N2C(=O)N(CC(=O)NCc3occc3)c4sc5CCCc5c4C2=O
chemicalCompound:molecularF...	C24H23N3O5S
chemicalCompound:moleculeId	949546
chemicalCompound:mwFreebase	465.522
chemicalCompound:alogp	3.424
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	120.33
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.41
chemicalCompound:acdLogD	3.41
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	465.522
chemicalCompound:acdMostBpk...	0.258
chemicalCompound:chemblId	CHEMBL1525662
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1049546
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:3832950, activity:3954109, activity:3982163, activity:4007148, activity:4539764, activity:5652300, activity:5864162, activity:6896076