332236

Source:http://linkedlifedata.com/resource/chembl/compound/332236

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/C24H20FN3O5S/c25-22-8-4-5-16(26-22)14-27-21-10-9-19(13-20(21)23(29)24(27)30)34(31,32)28-12-11-17(28)15-33-18-6-2-1-3-7-18/h1-10,13,17H,11-12,14-15H2/t17-/m0/s1
chemicalCompound:standardIn...	CHBXPPLGXKEWKQ-KRWDZBQOSA-N
chemicalCompound:canonicalS...	Fc1cccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N4CC[C@H]4COc5ccccc5)n1
chemicalCompound:molecularF...	C24 H20 F N3 O5 S
chemicalCompound:moleculeId	332236
chemicalCompound:mwFreebase	481.496
chemicalCompound:alogp	2.77
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	105.26
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.753
chemicalCompound:acdLogD	2.753
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	481.496
chemicalCompound:chemblId	CHEMBL371687
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:432236
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:1654041, activity:1656567, activity:1656594, activity:1656621, activity:1656648