375426

Source:http://linkedlifedata.com/resource/chembl/compound/375426

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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/C20H17N3O5S2/c1-8-12(16(20(27)28)23-15(8)13(9(2)24)18(23)26)11-6-22-7-21-14(19(22)30-11)17(25)10-4-3-5-29-10/h3-9,13,15,24H,1-2H3,(H,27,28)/t8-,9+,13+,15+/m0/s1
chemicalCompound:standardIn...	NYALNAUPUPWBCL-QGQFXCMDSA-N
chemicalCompound:canonicalS...	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)c3cn4cnc(C(=O)c5cccs5)c4s3
chemicalCompound:molecularF...	C20 H17 N3 O5 S2
chemicalCompound:moleculeId	375426
chemicalCompound:mwFreebase	443.496
chemicalCompound:alogp	1.893
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	168.69
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.259
chemicalCompound:acdLogP	-0.528
chemicalCompound:acdLogD	-3.557
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	443.496
chemicalCompound:acdMostBpk...	3.204
chemicalCompound:chemblId	CHEMBL225643
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:475426
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:1851299, activity:1851300, activity:1851301, activity:1851302, activity:1851303, activity:1851304, activity:1851305, activity:1851306