19839

Source:http://linkedlifedata.com/resource/chembl/compound/19839

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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/C22H28N4O5S/c1-9-17-15(10(2)27)21(29)26(17)18(22(30)31)19(9)32-13-7-14(25-8-13)11-3-5-12(6-4-11)16(23)20(24)28/h3-6,9-10,13-17,25,27H,7-8,23H2,1-2H3,(H2,24,28)(H,30,31)/t9-,10-,13+,14-,15-,16?,17-/m1/s1
chemicalCompound:standardIn...	WTSRLZNYMJARER-RIDWPCDCSA-N
chemicalCompound:canonicalS...	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]3CN[C@H](C3)c4ccc(cc4)C(N)C(=O)N
chemicalCompound:molecularF...	C22 H28 N4 O5 S
chemicalCompound:moleculeId	19839
chemicalCompound:mwFreebase	460.547
chemicalCompound:alogp	-3.823
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	184.28
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.268
chemicalCompound:acdLogP	-1.699
chemicalCompound:acdLogD	-4.266
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	460.547
chemicalCompound:acdMostBpk...	8.963
chemicalCompound:chemblId	CHEMBL18137
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:119839
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:881830, activity:881831, activity:881832, activity:881833, activity:881834, activity:881835, activity:881836, activity:881837