332558

Source:http://linkedlifedata.com/resource/chembl/compound/332558

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/C26H24N2O6S/c29-20-10-8-18(9-11-20)16-27-24-13-12-22(15-23(24)25(30)26(27)31)35(32,33)28-14-4-5-19(28)17-34-21-6-2-1-3-7-21/h1-3,6-13,15,19,29H,4-5,14,16-17H2/t19-/m0/s1
chemicalCompound:standardIn...	KYJSQQPQAAKFQY-IBGZPJMESA-N
chemicalCompound:canonicalS...	Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N4CCC[C@H]4COc5ccccc5)cc1
chemicalCompound:molecularF...	C26 H24 N2 O6 S
chemicalCompound:moleculeId	332558
chemicalCompound:mwFreebase	492.544
chemicalCompound:alogp	3.456
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	112.6
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.541
chemicalCompound:acdLogP	3.335
chemicalCompound:acdLogD	3.331
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	492.544
chemicalCompound:chemblId	CHEMBL200927
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:432558
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:1656553, activity:1656580, activity:1656607, activity:1656634, activity:1656661, activity:1778208, activity:1778227, activity:1778246, activity:1778265, activity:1778283, activity:1778302