854701

Source:http://linkedlifedata.com/resource/chembl/compound/854701

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/C21H23N3O5S/c25-20-14-29-19-7-6-17(12-18(19)23-20)30(27,28)24-10-8-16(9-11-24)21(26)22-13-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2,(H,22,26)(H,23,25)
chemicalCompound:standardIn...	QFJDMDQTDFTIRD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(NCc1ccccc1)C2CCN(CC2)S(=O)(=O)c3ccc4OCC(=O)Nc4c3
chemicalCompound:molecularF...	C21H23N3O5S
chemicalCompound:moleculeId	854701
chemicalCompound:mwFreebase	429.489
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	113.18
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.92
chemicalCompound:acdLogP	2.328
chemicalCompound:acdLogD	2.328
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.489
chemicalCompound:acdMostBpk...	0.914
chemicalCompound:chemblId	CHEMBL1430817
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:954701
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:5341050, activity:6821884, activity:7466658