250207

Source:http://linkedlifedata.com/resource/chembl/compound/250207

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:681128
chemicalCompound:standardIn...	InChI=1S/C14H16N2O4S.K/c1-9-13(14(20)16(9)21-8-12(18)19)15-11(17)7-10-5-3-2-4-6-10;/h2-6,9,13H,7-8H2,1H3,(H,15,17)(H,18,19);/q;+1/p-1/t9-,13-;/m0./s1
chemicalCompound:standardIn...	QPUJCJNHEBHUDW-NAWISMDQSA-M
chemicalCompound:canonicalS...	[K+].C[C@H]1[C@H](NC(=O)Cc2ccccc2)C(=O)N1SCC(=O)[O-]
chemicalCompound:molecularF...	C14 H15 N2 O4 S . K
chemicalCompound:moleculeId	250207
chemicalCompound:mwFreebase	308.353
chemicalCompound:alogp	0.742
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	112.01
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.624
chemicalCompound:acdLogP	0.603
chemicalCompound:acdLogD	-2.899
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	346.443
chemicalCompound:chemblId	CHEMBL355952
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:350207
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:378037, activity:378038