332193

Source:http://linkedlifedata.com/resource/chembl/compound/332193

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/C18H17N3O5S/c22-17-15-10-14(3-4-16(15)20-18(17)23)27(24,25)21-9-1-2-12(21)11-26-13-5-7-19-8-6-13/h3-8,10,12H,1-2,9,11H2,(H,20,22,23)/t12-/m0/s1
chemicalCompound:standardIn...	QKPDRLZDNXVLDS-LBPRGKRZSA-N
chemicalCompound:canonicalS...	O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N3CCC[C@H]3COc4ccncc4
chemicalCompound:molecularF...	C18 H17 N3 O5 S
chemicalCompound:moleculeId	332193
chemicalCompound:mwFreebase	387.41
chemicalCompound:alogp	0.758
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	114.05
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.644
chemicalCompound:acdLogP	2.081
chemicalCompound:acdLogD	1.998
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	387.41
chemicalCompound:acdMostBpk...	6.565
chemicalCompound:chemblId	CHEMBL197237
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:432193
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:1654081, activity:1656560, activity:1656587, activity:1656614, activity:1656641