248547

Source:http://linkedlifedata.com/resource/chembl/compound/248547

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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/C15H16N2O7S/c1-15(7-12(19)24-9-4-2-8(16)3-5-9)13(14(20)21)17-10(18)6-11(17)25(15,22)23/h2-5,11,13H,6-7,16H2,1H3,(H,20,21)/q+2/t11?,13-,15-/m0/s1
chemicalCompound:standardIn...	VGVRJWMUNWONJZ-MONRWBKMSA-N
chemicalCompound:canonicalS...	C[C@]1(CC(=O)Oc2ccc(N)cc2)[C@@H](N3C(CC3=O)[S+2]1([O-])[O-])C(=O)O
chemicalCompound:molecularF...	C15H16N2O7S
chemicalCompound:moleculeId	248547
chemicalCompound:mwFreebase	368.362
chemicalCompound:alogp	-0.807
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	156.05
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:fullMwt	368.362
chemicalCompound:chemblId	CHEMBL216412
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:348547
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:842126, activity:842127, activity:842128, activity:842129, activity:842130, activity:842131, activity:842132, activity:842133, activity:842134, activity:842135, activity:842136